MEJ

3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide

Created:2012-09-19
Last modified:  2013-06-19

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count45
Aromatic Bond Count12
2D diagram of MEJ

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Chemical Component Summary

Name3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Systematic Name (OpenEye OEToolkits)3-(4-oxidanylidene-3H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
FormulaC19 H19 N3 O2
Molecular Weight321.373
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
SMILESCACTVS3.370C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
SMILESOpenEye OEToolkits1.7.6CC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
Canonical SMILESCACTVS3.370 C[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
InChIInChI1.03 InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
InChIKeyInChI1.03 QIHBWVVVRYYYRO-ZDUSSCGKSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3092537
PubChem 135566764, 71571526
ChEMBL CHEMBL3092537