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Summary Geometry Related PDB entries

DD8

Summary

Name:	3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
Formula:	C21 H20 N4 O2
Formal charge:	0
Formula weight:	360.409 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKey	InChI	1.03	QPTLAOOZWOLYLB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)N(C2CCOCC2)c3c1cnc4ccc(cc34)c5cccnc5
SMILES	CACTVS	3.385	CN1C(=O)N(C2CCOCC2)c3c1cnc4ccc(cc34)c5cccnc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5
SMILES	OpenEye OEToolkits	2.0.6	CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5

219515

PDB entries from 2024-05-08

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