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8WH

8WH
Name:	3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid
Formula:	C23 H21 N5 O4
SMILES:	OC(=O)c1cccc(Cn2cc(nn2)c3cccc4C(=O)CC(=Nc34)N5CCOCC5)c1
InChi:	InChI=1S/C23H21N5O4/c29-20-12-21(27-7-9-32-10-8-27)24-22-17(5-2-6-18(20)22)19-14-28(26-25-19)13-15-3-1-4-16(11-15)23(30)31/h1-6,11,14H,7-10,12-13H2,(H,30,31)
Definition date:	2017-03-17
Last modified:	2017-09-08
Release date:	2017-09-13
Identifier:	3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid

9O2

9O2
Name:	~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
Formula:	C25 H25 N5 O
SMILES:	CCC(=O)Nc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2
InChi:	InChI=1S/C25H25N5O/c1-2-23(31)28-20-10-6-9-18(15-20)24-29-22-16-19(26)11-12-21(22)25(30-24)27-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14,26H2,1H3,(H,28,31)(H,27,29,30)
Definition date:	2017-06-15
Last modified:	2017-09-01
Release date:	2017-09-06
Identifier:	~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide

9O5

9O5
Name:	4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
Formula:	C26 H26 N4 O
SMILES:	CC(=O)CCc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2
InChi:	InChI=1S/C26H26N4O/c1-18(31)10-11-20-8-5-9-21(16-20)25-29-24-17-22(27)12-13-23(24)26(30-25)28-15-14-19-6-3-2-4-7-19/h2-9,12-13,16-17H,10-11,14-15,27H2,1H3,(H,28,29,30)
Definition date:	2017-06-15
Last modified:	2017-09-01
Release date:	2017-09-06
Identifier:	4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one

7N3

7N3
Name:	2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide
Formula:	C15 H12 N4 O3 S2
SMILES:	NC(=O)c1ccsc1NC(=O)CSC2=Nc3ccccc3C(=O)N2
InChi:	InChI=1S/C15H12N4O3S2/c16-12(21)9-5-6-23-14(9)18-11(20)7-24-15-17-10-4-2-1-3-8(10)13(22)19-15/h1-6H,7H2,(H2,16,21)(H,18,20)(H,17,19,22)
Definition date:	2016-12-01
Last modified:	2017-09-01
Release date:	2017-09-06
Identifier:	2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide

FJI

FJI
Name:	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide
Formula:	C34 H31 F N4 O5
SMILES:	Fc1ccc(Nc2ccc3C(=O)c4cc(ccc4COc3c2)C(=O)NCCN5CCOCC5)cc1NC(=O)c6ccccc6
InChi:	InChI=1S/C34H31FN4O5/c35-29-11-9-25(19-30(29)38-34(42)22-4-2-1-3-5-22)37-26-8-10-27-31(20-26)44-21-24-7-6-23(18-28(24)32(27)40)33(41)36-12-13-39-14-16-43-17-15-39/h1-11,18-20,37H,12-17,21H2,(H,36,41)(H,38,42)
Definition date:	2017-01-11
Last modified:	2017-09-01
Release date:	2017-09-06
Identifier:	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide

725

725
Name:	6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
Formula:	C19 H26 N6 O5
SMILES:	CNc1[nH]c2c(CC[CH]3O[CH](OC)[CH](OC)[CH]3OC)c4N=C(N)NC(=O)c4cc2n1
InChi:	InChI=1S/C19H26N6O5/c1-21-19-22-10-7-9-12(23-18(20)25-16(9)26)8(13(10)24-19)5-6-11-14(27-2)15(28-3)17(29-4)30-11/h7,11,14-15,17H,5-6H2,1-4H3,(H2,21,22,24)(H3,20,23,25,26)/t11-,14-,15-,17-/m1/s1
Definition date:	2016-08-15
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{R},5~{R})-3,4,5-trimethoxyoxolan-2-yl]ethyl]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

726

726
Name:	6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Formula:	C21 H30 N6 O6
SMILES:	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](OC)[CH](OC)[CH]4OC)c2n1)N
InChi:	InChI=1S/C21H30N6O6/c1-23-21-24-11-8-10-13(25-20(22)27-18(10)28)9(14(11)26-21)6-7-12-15(29-2)16(30-3)17(31-4)19(32-5)33-12/h8,12,15-17,19H,6-7H2,1-5H3,(H2,23,24,26)(H3,22,25,27,28)/t12-,15-,16+,17-,19+/m1/s1
Definition date:	2016-08-15
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

72C

72C
Name:	4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Formula:	C20 H26 N6 O5
SMILES:	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH]5OC(C)(C)O[CH]45)c2n1)N
InChi:	InChI=1S/C20H26N6O5/c1-20(2)30-14-11(29-17(28-4)15(14)31-20)6-5-8-12-9(16(27)26-18(21)24-12)7-10-13(8)25-19(22-3)23-10/h7,11,14-15,17H,5-6H2,1-4H3,(H2,22,23,25)(H3,21,24,26,27)/t11-,14-,15-,17-/m1/s1
Definition date:	2016-08-15
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

B8P

B8P
Name:	3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid
Formula:	C17 H15 N3 O3
SMILES:	c21ccccc1nc(CCC(=O)O)c(n2)OCc3ccccn3
InChi:	InChI=1S/C17H15N3O3/c21-16(22)9-8-15-17(23-11-12-5-3-4-10-18-12)20-14-7-2-1-6-13(14)19-15/h1-7,10H,8-9,11H2,(H,21,22)
Definition date:	2017-08-07
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid

72K

72K
Name:	4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide
Formula:	C30 H29 N5 O2
SMILES:	Cc1nn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4cccc(c5cnc6ccccc6c5)c14
InChi:	InChI=1S/C30H29N5O2/c1-18-29-24(20-15-19-5-2-3-7-26(19)32-17-20)6-4-8-28(29)35(34-18)22-11-14-25(30(31)37)27(16-22)33-21-9-12-23(36)13-10-21/h2-8,11,14-17,21,23,33,36H,9-10,12-13H2,1H3,(H2,31,37)/t21-,23-
Definition date:	2016-08-16
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide

8ZG

8ZG
Name:	1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C21 H20 Cl F N4 O
SMILES:	c3(c1ccccc1F)c(Cl)cc4c(N2CCN(CC2)C(=O)CC)ncnc4c3
InChi:	InChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3
Definition date:	2017-03-22
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one

91D

91D
Name:	N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
Formula:	C26 H30 Cl F N6 O2
SMILES:	c4c1c(nc(NCCC(=O)N(C)C)nc1N2CCN(CC2)C(=O)CC)cc(c3c(F)cccc3)c4Cl
InChi:	InChI=1S/C26H30ClFN6O2/c1-4-23(35)33-11-13-34(14-12-33)25-19-15-20(27)18(17-7-5-6-8-21(17)28)16-22(19)30-26(31-25)29-10-9-24(36)32(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,29,30,31)
Definition date:	2017-03-27
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide

91G

91G
Name:	N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
Formula:	C30 H33 Cl N6 O3
SMILES:	N1(CCN(CC1)C(CC)=O)c5c2c(cc(c(Cl)c2)c3cc(O)cc4c3cccc4)nc(NCCC(=O)N(C)C)n5
InChi:	InChI=1S/C30H33ClN6O3/c1-4-27(39)36-11-13-37(14-12-36)29-24-17-25(31)23(22-16-20(38)15-19-7-5-6-8-21(19)22)18-26(24)33-30(34-29)32-10-9-28(40)35(2)3/h5-8,15-18,38H,4,9-14H2,1-3H3,(H,32,33,34)
Definition date:	2017-03-27
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide

93J

93J
Name:	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
Formula:	C24 H23 Cl F N5 O2
SMILES:	c21c(cc(OCC)c(NC([C@H]=CCN(C)C)=O)c1)ncc(c2Nc3cc(c(cc3)F)Cl)C#N
InChi:	InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
Definition date:	2017-04-03
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide

P64

P64
Name:	7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
Formula:	C20 H24 N4
SMILES:	CN(c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C
InChi:	InChI=1S/C20H24N4/c1-24(2)18-8-4-15(5-9-18)11-12-22-14-16-3-6-17-7-10-20(21)23-19(17)13-16/h3-10,13,22H,11-12,14H2,1-2H3,(H2,21,23)
Definition date:	2017-05-24
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine

P94

P94
Name:	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
Formula:	C19 H18 N4
SMILES:	N#Cc3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3
InChi:	InChI=1S/C19H18N4/c20-12-15-3-1-14(2-4-15)9-10-22-13-16-5-6-17-7-8-19(21)23-18(17)11-16/h1-8,11,22H,9-10,13H2,(H2,21,23)
Definition date:	2017-05-24
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile

Y55

Y55
Name:	7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione
Formula:	C13 H9 N O4
SMILES:	N1(O)C(=O)c3c(CC1=O)ccc(c2occc2)c3
InChi:	InChI=1S/C13H9NO4/c15-12-7-8-3-4-9(11-2-1-5-18-11)6-10(8)13(16)14(12)17/h1-6,17H,7H2
Definition date:	2017-02-21
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione

M62

M62
Name:	7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
Formula:	C16 H14 F N3
SMILES:	n1c2c(ccc1N)ccc(c2)CNc3cc(ccc3)F
InChi:	InChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine

A7Y

A7Y
Name:	N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide
Formula:	C29 H28 Cl N3 O2
SMILES:	c5(ccc(CN1CC(CC1)N(C)C(c4c2ccccc2nc(c3cc(ccc3)OC)c4)=O)cc5)Cl
InChi:	InChI=1S/C29H28ClN3O2/c1-32(23-14-15-33(19-23)18-20-10-12-22(30)13-11-20)29(34)26-17-28(21-6-5-7-24(16-21)35-2)31-27-9-4-3-8-25(26)27/h3-13,16-17,23H,14-15,18-19H2,1-2H3/t23-/m1/s1
Definition date:	2017-07-10
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide

7BF

7BF
Name:	5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline
Formula:	C19 H18 N6 O
SMILES:	C1C[CH](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45
InChi:	InChI=1S/C19H18N6O/c1-3-14-11-20-8-6-16(14)17(5-1)26-12-15-4-2-10-24(15)18-7-9-21-19-22-13-23-25(18)19/h1,3,5-9,11,13,15H,2,4,10,12H2/t15-/m1/s1
Definition date:	2016-09-29
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline

9OG

9OG
Name:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
Formula:	C20 H20 N4
SMILES:	C(Cc1ccc(C#N)cc1)NCc2ccc3c(c2)nc(N)cc3C
InChi:	InChI=1S/C20H20N4/c1-14-10-20(22)24-19-11-17(6-7-18(14)19)13-23-9-8-15-2-4-16(12-21)5-3-15/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile

9OJ

9OJ
Name:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
Formula:	C21 H22 N4
SMILES:	N#Cc1c(C)cc(cc1)CCNCc2cc3c(cc2)c(cc(n3)N)C
InChi:	InChI=1S/C21H22N4/c1-14-9-16(3-5-18(14)12-22)7-8-24-13-17-4-6-19-15(2)10-21(23)25-20(19)11-17/h3-6,9-11,24H,7-8,13H2,1-2H3,(H2,23,25)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile

9OM

9OM
Name:	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Formula:	C19 H22 N4
SMILES:	Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3
InChi:	InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine

9OS

9OS
Name:	7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Formula:	C19 H22 N4 O
SMILES:	c13c(ccc(N)n1)ccc(CNCCCc2cnccc2OC)c3
InChi:	InChI=1S/C19H22N4O/c1-24-18-8-10-22-13-16(18)3-2-9-21-12-14-4-5-15-6-7-19(20)23-17(15)11-14/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine

9P1

9P1
Name:	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
Formula:	C19 H22 N4
SMILES:	c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3
InChi:	InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
Definition date:	2017-05-24
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine

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