6-Fluoro-4-Oxo-1-[(1R,2S)-2-Phenylcyclopropyl]-7-(1-Piperazinyl)-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C23H22FN3O3
IUPAC Name 6-fluoro-4-oxo-1-[(1r,2s)-2-phenylcyclopropyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid
Molecular Mass 407.437 g·mol−1
Heat of Formation -291.5 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 470.5 Å 3
Surface Area 403.29 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 6-fluoro-4-keto-1-[(1r,2s)-2-phenylcyclopropyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • 6-fluoro-4-oxo-1-[(1r,2s)-2-phenylcyclopropyl]-7-(1-piperazinyl)-3-quinolinecarboxylic acid
  • 6-fluoro-4-oxo-1-[(1r,2s)-2-phenylcyclopropyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • 6-fluoro-4-oxo-1-[(1r,2s)-2-phenylcyclopropyl]-7-piperazin-1-ylquinoline-3-carboxylic acid
  • 6-fluoro-7-(1-piperazinyl)-1-(2'-phenyl-1'-cyclopropyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  • 6-fppcoqc
CAS Number(s)
  • 103531-48-2
InChIKey FNNPFNDZIMUNOD-HNAYVOBHSA-N
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