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YE4

Summary
Name:N-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Formula:C23 H24 Cl N3 O3
Formal charge:0
Formula weight:425.908 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(4-chlorophenyl)methyl]-1-methyl-6-[(morpholin-4-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
OpenEye OEToolkits2.0.7~{N}-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl
InChIInChI1.03InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
InChIKeyInChI1.03SXLQSQMKOYVAAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C=C(C(=O)NCc2ccc(Cl)cc2)C(=O)c3cc(CN4CCOCC4)ccc13
SMILESCACTVS3.385CN1C=C(C(=O)NCc2ccc(Cl)cc2)C(=O)c3cc(CN4CCOCC4)ccc13
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl
SMILESOpenEye OEToolkits2.0.7CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl

222415

數據於2024-07-10公開中

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