8-[(3S)-3-Amino-1-Pyrrolidinyl]-1-Cyclopropyl-7-Fluoro-9-Methyl-4-Oxo-4H-Quinolizine-3-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C18H24FN3O3
IUPAC Name 8-[(1r,3s)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-1,8,9,9a-tetraide-3-carboxylic acid
Molecular Mass 349.400 g·mol−1
Heat of Formation -442.2 ± 16.7 kJ·mol−1
Dipole Moment 9.38 ± 1.08 D
Volume 396.63 Å 3
Surface Area 336.19 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 162763-53-3 (hydrochloride)
  • 4h-quinolizine-3-carboxylic acid, 8-((3s)-3-amino-1-pyrrolidinyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-
  • 4h-quinolizine-3-carboxylic acid, 8-[(3s)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-
  • 8-[(3s)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid
  • 8-[(3s)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid
  • 8-[(3s)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid
  • 8-[(3s)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
  • a 86719.1(hydrochloride)
  • abt-719 (hydrochloride)
CAS Number(s)
  • 162829-90-5
InChIKey AUUKUAHPMHVZJL-NSHDSACASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N