3-(4-Oxo-1,4-Dihydro-2-Quinazolinyl)-N-[(1R)-1-(2-Pyridinyl)Ethyl]Propanamide

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Properties Simple | Detailed

Formula C18H18N4O2+
IUPAC Name 3-(4-oxoquinazolin-3-ium-2-yl)-n-[(1r)-1-(2-pyridyl)ethyl]propanamide
Molecular Mass 322.361 g·mol−1
Heat of Formation -133.2 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 384.44 Å 3
Surface Area 356.63 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-keto-1h-quinazolin-2-yl)-n-[(1r)-1-(2-pyridyl)ethyl]propionamide
  • 3-(4-oxo-1h-quinazolin-2-yl)-n-[(1r)-1-(2-pyridyl)ethyl]propanamide
InChIKey HWTVYWVFOWWESR-GFCCVEGCSA-N
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