1-Cyclopropyl-7-Fluoro-9-Methyl-8-[(4As,7As)-Octahydro-6H-Pyrrolo[3,4-B]Pyridin-6-Yl]-4-Oxo-4H-Quinolizine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C21H28FN3O3
IUPAC Name 8-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-1,8,9,9a-tetraide-3-carboxylic acid
Molecular Mass 389.464 g·mol−1
Heat of Formation -454.9 ± 16.7 kJ·mol−1
Dipole Moment 11.03 ± 1.08 D
Volume 443.62 Å 3
Surface Area 372.03 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 181141-52-6 (hydrochloride)
  • 4h-quinolizine-3-carboxylic acid, 1-cyclopropyl-7-fluoro-9-methyl-8-((4as,7as)-octahydro-6h-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-
  • 4h-quinolizine-3-carboxylic acid, 1-cyclopropyl-7-fluoro-9-methyl-8-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-
  • 4h-quinolizine-3-carboxylic acid, 8-[(4asr,7asr)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-
  • 8-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid
  • 8-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid
  • 8-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid
  • abt-255
CAS Number(s)
  • 186293-38-9
InChIKey LPFFKRSIFTURFF-SUMWQHHRSA-N
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