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8J7

Summary
Name:4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
Formula:C20 H23 N3
Formal charge:0
Formula weight:305.417 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
OpenEye OEToolkits2.0.64-methyl-7-[2-[3-(methylaminomethyl)phenyl]ethyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c31nc(N)cc(C)c1ccc(CCc2cc(ccc2)CNC)c3
InChIInChI1.03InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)
InChIKeyInChI1.03VJMAXFIJCSRVHO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1
SMILESCACTVS3.385CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N

222415

PDB entries from 2024-07-10

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