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1V9

Summary
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
Formula:C20 H21 N3 O2
Formal charge:0
Formula weight:335.4 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
OpenEye OEToolkits1.7.63-(4-oxidanylidene-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(c1ccccc1)CC)CCC3=Nc2c(cccc2)C(=O)N3
InChIInChI1.03InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1
InChIKeyInChI1.03YAXDRRKYLDEMKO-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.370CC[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
SMILESCACTVS3.370CC[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
SMILESOpenEye OEToolkits1.7.6CCC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2

224931

PDB entries from 2024-09-11

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