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SummaryGeometryRelated PDB entries

A1CEP

Summary
Name:7-methoxy-2-(4-methoxyphenyl)-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
Formula:C18 H15 N3 O3
Formal charge:0
Formula weight:321.33 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.527-methoxy-2-(4-methoxyphenyl)-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
OpenEye OEToolkits3.1.0.07-methoxy-2-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]quinolin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52COc1ccc(cc1)N1Nc2c(cnc3cc(OC)ccc32)C1=O
InChIInChI1.06InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3
InChIKeyInChI1.06CGOOCGJMECBDCB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)N2Nc3c(cnc4cc(OC)ccc34)C2=O
SMILESCACTVS3.385COc1ccc(cc1)N2Nc3c(cnc4cc(OC)ccc34)C2=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccc(cc1)N2C(=O)c3cnc4cc(ccc4c3N2)OC
SMILESOpenEye OEToolkits3.1.0.0COc1ccc(cc1)N2C(=O)c3cnc4cc(ccc4c3N2)OC

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PDB entries from 2026-02-18

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