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RLD

Summary
Name:2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
Formula:C24 H22 N4 O2
Formal charge:0
Formula weight:398.457 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
OpenEye OEToolkits2.0.72-methyl-6-(7-piperidin-1-ylcarbonylquinoxalin-2-yl)isoquinolin-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C5CCN(C(c4ccc3c(nc(c2ccc1C(=O)N(C=Cc1c2)C)cn3)c4)=O)CC5
InChIInChI1.03InChI=1S/C24H22N4O2/c1-27-12-9-16-13-17(5-7-19(16)24(27)30)22-15-25-20-8-6-18(14-21(20)26-22)23(29)28-10-3-2-4-11-28/h5-9,12-15H,2-4,10-11H2,1H3
InChIKeyInChI1.03URHPFANOQLIROT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C=Cc2cc(ccc2C1=O)c3cnc4ccc(cc4n3)C(=O)N5CCCCC5
SMILESCACTVS3.385CN1C=Cc2cc(ccc2C1=O)c3cnc4ccc(cc4n3)C(=O)N5CCCCC5
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1C=Cc2cc(ccc2C1=O)c3cnc4ccc(cc4n3)C(=O)N5CCCCC5
SMILESOpenEye OEToolkits2.0.7CN1C=Cc2cc(ccc2C1=O)c3cnc4ccc(cc4n3)C(=O)N5CCCCC5

223532

PDB entries from 2024-08-07

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