(4S)-6-Chloro-4-Cyclopropyl-4-(2-Pyridinylethynyl)-3,4-Dihydro-2(1H)-Quinazolinone

Molecule SVG Image

Properties Simple | Detailed

Formula C18H14ClN3O
IUPAC Name (4s)-6-chloro-4-cyclopropyl-4-[2-(2-pyridyl)ethynyl]-1,3-dihydroquinazolin-2-one
Molecular Mass 323.776 g·mol−1
Heat of Formation 361.0 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 372.39 Å 3
Surface Area 332.85 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-6-chloro-4-cyclopropyl-4-[2-(2-pyridyl)ethynyl]-1,3-dihydroquinazolin-2-one
  • 2(1h)-quinazolinone, 4-cyclopropyl-3,4-dihydro-4-(2-pyridinylethynyl)-, (s)-
  • 6-chloro-4(s)-cyclopropyl-3,4-dihydro-4-((2-pyridyl)ethynyl)quinazolin-2(1h)-one
  • 6-chloro-4(s)-cyclopropyl-3,4-dihydro-4-((2-pyridyl)ethynyl)quinazolin-2(1h)-one l-738,372
  • l 738372
  • l-738,372
  • l-738372
CAS Number(s)
  • 159565-60-3
InChIKey VQWNFBGVGJSEIS-GOSISDBHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl