1-Cyclopropyl-7-(2,6-Dimethyl-4-Pyridinyl)-6,8-Difluoro-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C20H31F2N2O3+
IUPAC Name 1-cyclopropyl-7-(2,6-dimethylpiperidine-1,2,3,4,5,6-hexaid-4-yl)-6,8-difluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 385.469 g·mol−1
Heat of Formation -574.8 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 408.63 Å 3
Surface Area 360.78 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(2,6-dimethyl-4-pyridinyl)-4-oxo-3-quinolinecarboxyic acid
  • 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid
  • 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
  • 3-quinolinecarboxylic acid, 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-1,4-dihydro-4-oxo-
  • cpfdm-3-qca
CAS Number(s)
  • 123942-05-2
InChIKey WHXJSJBKDGZVDA-UHFFFAOYSA-N
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