4-(3-Chlorophenyl)-1,7-Diethylpyrido[2,3-D]Pyrimidin-2(1H)-One

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Properties Simple | Detailed

Formula C17H16ClN3O+
IUPAC Name 4-(3-chlorophenyl)-1,7-diethyl-pyrido[2,3-d]pyrimidin-2-one
Molecular Mass 313.781 g·mol−1
Heat of Formation 24.4 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 360.62 Å 3
Surface Area 326.08 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3-chlorophenyl)-1,7-diethyl-2-pyrido[3,2-e]pyrimidinone
  • 4-(3-chlorophenyl)-1,7-diethyl-pyrido[3,2-e]pyrimidin-2-one
  • 4-(3-chlorophenyl)-1,7-diethylpyrido[3,2-e]pyrimidin-2-one
  • tocris-1821
  • ym 976
InChIKey MNHXYNNKDDXKNP-UHFFFAOYSA-N
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Elements H C N O Cl