7-(3-Amino-3-Methyl-1-Azetidinyl)-1-Cyclopropyl-6,8-Difluoro-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C17H26F2N3O3+
IUPAC Name 7-(3-amino-3-methyl-azetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 358.403 g·mol−1
Heat of Formation -545.9 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 382.81 Å 3
Surface Area 335.05 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3-quinolinecarboxylic acid, 7-(3-amino-3-methyl-1-azetidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-
  • 7-(3-amino-3-methyl-1-azetidinyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-(3-amino-3-methyl-azetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid
  • 7-(3-amino-3-methyl-azetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
  • e 4441
  • e-4441
CAS Number(s)
  • 124668-12-8
InChIKey FEMZVDSBIXDODB-UHFFFAOYSA-N
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