3-(2-Chlorophenyl)-2-[(E)-2-{6-[(Diethylamino)Methyl]-2-Pyridinyl}Vinyl]-6-Fluoro-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C26H24ClFN4O
IUPAC Name 3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)-2-pyridyl]vinyl]-6-fluoro-quinazolin-4-one
Molecular Mass 462.946 g·mol−1
Heat of Formation 35.4 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 548.67 Å 3
Surface Area 415.39 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)-2-pyridyl]vinyl]-6-fluoro-4-quinazolinone
  • 3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)-2-pyridyl]vinyl]-6-fluoro-quinazolin-4-one
  • 3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)pyridin-2-yl]ethenyl]-6-fluoro-quinazolin-4-one
  • pdsp1_000236
  • pdsp1_000237
  • pdsp2_000235
  • pdsp2_000236
InChIKey HYHNPUGUPISSQO-FYWRMAATSA-N
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Elements C F H Cl O N