7-[(3S)-3-(Aminomethyl)-3-(Fluoromethyl)-1-Pyrrolidinyl]-1-Cyclopropyl-6-Fluoro-8-Methoxy-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C20H32F2N3O4+
IUPAC Name 7-[(1r,3s)-3-(aminomethyl)-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 416.483 g·mol−1
Heat of Formation -753.4 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 459.99 Å 3
Surface Area 376.24 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(3s)-3-(aminomethyl)-3-(fluoromethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
  • 7-[(3s)-3-(aminomethyl)-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid
  • 7-[(3s)-3-(aminomethyl)-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
  • 7-[(3s)-3-(aminomethyl)-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
InChIKey AGRJUZPPATWGHI-FQEVSTJZSA-N
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