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RQO

Summary
Name:4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide
Formula:C20 H18 Cl N3 O2
Formal charge:0
Formula weight:367.829 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide
OpenEye OEToolkits2.0.74-[2-(3-chlorophenyl)ethanoylamino]-~{N},~{N}-dimethyl-isoquinoline-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI1.06InChI=1S/C20H18ClN3O2/c1-24(2)20(26)14-6-7-15-11-22-12-18(17(15)10-14)23-19(25)9-13-4-3-5-16(21)8-13/h3-8,10-12H,9H2,1-2H3,(H,23,25)
InChIKeyInChI1.06CAOMTBMUDFASIS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C(=O)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl

222036

PDB entries from 2024-07-03

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