Chemical Component Summary

Name(2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
Identifiers(E)-3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]prop-2-enamide
FormulaC20 H19 N3 O3
Molecular Weight349.383
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2
InChIInChI=1S/C20H19N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-11,15,24H,12-13H2,(H,21,25)(H,22,23,26)/b11-10+/t15-/m0/s1
InChIKeyVFWJQFJBFDGGJD-NKSUMMKUSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count1
Bond Count47
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 136224185, 72792620
ChEMBL CHEMBL3092519