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P0X

Summary
Name:4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
Formula:C20 H16 Cl N3 O3
Formal charge:0
Formula weight:381.812 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
OpenEye OEToolkits2.0.74-[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChIInChI1.06InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25)
InChIKeyInChI1.06BJJZCSKOWCBJFK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cccc(c1)N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34
SMILESCACTVS3.385Clc1cccc(c1)N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl

218853

PDB entries from 2024-04-24

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