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Summary Geometry Related PDB entries

IJN

Summary

Name:	(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one
Formula:	C19 H16 Cl N3 O2
Formal charge:	0
Formula weight:	353.802 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one
OpenEye OEToolkits	2.0.7	1-(2-chlorophenyl)-8-methoxy-3,4-dimethyl-imidazo[1,5-a]quinazolin-5-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1c1nc(C)c2n1c1cc(OC)ccc1C(=O)N2C
InChI	InChI	1.03	InChI=1S/C19H16ClN3O2/c1-11-18-22(2)19(24)14-9-8-12(25-3)10-16(14)23(18)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3
InChIKey	InChI	1.03	AHMFLINKVLCXJT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2C(=O)N(C)c3n(c2c1)c(nc3C)c4ccccc4Cl
SMILES	CACTVS	3.385	COc1ccc2C(=O)N(C)c3n(c2c1)c(nc3C)c4ccccc4Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c2n(c(n1)c3ccccc3Cl)-c4cc(ccc4C(=O)N2C)OC
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2n(c(n1)c3ccccc3Cl)-c4cc(ccc4C(=O)N2C)OC

247536

PDB entries from 2026-01-14

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