6-Fluoro-4-Oxo-1-[4-(Phosphonooxy)Phenyl]-7-(1-Piperazinyl)-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C20H19FN3O7P
IUPAC Name 6-fluoro-4-oxo-1-(4-phosphonooxycyclohexyl)-7-piperazin-1-yl-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 463.353 g·mol−1
Heat of Formation -1410.7 ± 16.7 kJ·mol−1
Dipole Moment 7.57 ± 1.08 D
Volume 488.83 Å 3
Surface Area 416.45 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 6-fluoro-4-keto-1-(4-phosphonooxyphenyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid
  • 6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid
  • 6-fluoro-4-oxo-1-(4-phosphonooxyphenyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid
InChIKey SBFPSGVDCSQYCV-UHFFFAOYSA-N
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Elements C F H O N P