6-(Difluoromethoxy)-4-Oxo-7-(1-Piperazinyl)-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C15H15F2N3O4
IUPAC Name 6-(difluoromethoxy)-4-oxo-7-piperazin-1-yl-1h-quinoline-3-carboxylic acid
Molecular Mass 339.294 g·mol−1
Heat of Formation -883.8 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 358.96 Å 3
Surface Area 319.91 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 3-quinolinecarboxylic acid, 6-(difluoromethoxy)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
  • 6-(difluoromethoxy)-4-keto-7-piperazin-1-yl-1h-quinoline-3-carboxylic acid
  • 6-(difluoromethoxy)-4-oxo-7-(1-piperazinyl)-1h-quinoline-3-carboxylic acid
  • 6-(difluoromethoxy)-4-oxo-7-piperazin-1-yl-1h-quinoline-3-carboxylic acid
  • 6-difluoromethoxy-7-piperazinyl-3-quinolonecarboxylic acid
  • dfmpq
CAS Number(s)
  • 121935-03-3
InChIKey BWUZDTRHFMTIKP-UHFFFAOYSA-N
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