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Summary Geometry Related PDB entries

88H

Summary

Name:	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine
Formula:	C23 H24 N4 O
Formal charge:	0
Formula weight:	372.463 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine
OpenEye OEToolkits	2.0.7	7-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methoxy]-5,8-dihydroquinolin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1ccc2CC=C(Cc2n1)OCc1cccc(CNCc2ccccn2)c1
InChI	InChI	1.03	InChI=1S/C23H24N4O/c24-23-10-8-19-7-9-21(13-22(19)27-23)28-16-18-5-3-4-17(12-18)14-25-15-20-6-1-2-11-26-20/h1-6,8-12,25H,7,13-16H2,(H2,24,27)
InChIKey	InChI	1.03	KJHXGBWLZFPKIP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ccc2CC=C(Cc2n1)OCc3cccc(CNCc4ccccn4)c3
SMILES	CACTVS	3.385	Nc1ccc2CC=C(Cc2n1)OCc3cccc(CNCc4ccccn4)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNCc2cccc(c2)COC3=CCc4ccc(nc4C3)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNCc2cccc(c2)COC3=CCc4ccc(nc4C3)N

224931

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