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Summary

Name:	(7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine
Formula:	C20 H21 N3 O
Formal charge:	0
Formula weight:	319.4 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine
OpenEye OEToolkits	2.0.7	4-methyl-7-(4-methyl-3,5-dihydro-2~{H}-1,4-benzoxazepin-7-yl)quinolin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1nc2cc(ccc2c(C)c1)c1ccc2OCCN(C)Cc2c1
InChI	InChI	1.06	InChI=1S/C20H21N3O/c1-13-9-20(21)22-18-11-15(3-5-17(13)18)14-4-6-19-16(10-14)12-23(2)7-8-24-19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,21,22)
InChIKey	InChI	1.06	KQYBEJZTISOXTM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCOc2ccc(cc2C1)c3ccc4c(C)cc(N)nc4c3
SMILES	CACTVS	3.385	CN1CCOc2ccc(cc2C1)c3ccc4c(C)cc(N)nc4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nc2c1ccc(c2)c3ccc4c(c3)CN(CCO4)C)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc2c1ccc(c2)c3ccc4c(c3)CN(CCO4)C)N

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