7-[(3R)-3-(1-Aminocyclopropyl)-1-Pyrrolidinyl]-1-[(1R,2S)-2-Fluorocyclopropyl]-8-Methoxy-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C21H24FN3O4
IUPAC Name 7-[(1r,3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1r,2s)-2-fluorocyclopropyl]-8-methoxy-4-oxo-5,6-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 401.431 g·mol−1
Heat of Formation -484.9 ± 16.7 kJ·mol−1
Dipole Moment 12.49 ± 1.08 D
Volume 466.09 Å 3
Surface Area 382.6 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(3r)-3-(1-aminocyclopropyl)-1-pyrrolidinyl]-1-[(1r,2s)-2-fluorocyclopropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid
  • 7-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1r,2s)-2-fluorocyclopropyl]-4-keto-8-methoxy-quinoline-3-carboxylic acid
  • 7-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1r,2s)-2-fluorocyclopropyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid
  • 7-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1r,2s)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
InChIKey ZLICIITZJTYKAQ-DIOULYMOSA-N
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