7-[(3R)-3-Ammonio-1-Pyrrolidinyl]-8-Chloro-1-Cyclopropyl-6-Fluoro-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylate

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Properties Simple | Detailed

Formula C17H26ClFN3O3+
IUPAC Name 7-[(1s,3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 374.858 g·mol−1
Heat of Formation -434.6 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 394.74 Å 3
Surface Area 338.68 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(3r)-3-amino-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
InChIKey QGPKADBNRMWEQR-MRVPVSSYSA-N
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Elements C F H Cl O N