9-Fluoro-2-(2-Methyl-2-Propanyl)-1,6-Dihydro-7H-Benzo[H]Imidazo[4,5-F]Isoquinolin-7-One

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Properties Simple | Detailed

Formula C18H17FN3O+
IUPAC Name 9-fluoro-2-(2-methyl-2-propanyl)-1,6-dihydro-7h-benzo[h]imidazo[4,5-f]isoquinolin-7-one
Molecular Mass 310.345 g·mol−1
Heat of Formation -158.2 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 353.76 Å 3
Surface Area 315.01 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-(1,1-dimethylethyl)-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinolin-7-one
  • 2-(1,1-dimethylethyl)9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinolin-7-one
  • 2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinoline-7-one
  • insolution™ jak inhibitor i
  • iza
  • jak inhibitor i
  • jak inhibitor i; 2-(1,1-dimethylethyl)-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinolin-7-one
  • k00013
  • k00225
  • p6
  • pyridone 6
InChIKey VNDWQCSOSCCWIP-UHFFFAOYSA-N
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Elements H C N O F