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

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Properties Simple | Detailed

Formula C21H18F3N3O3
IUPAC Name 1-(2,4-difluorocyclohexyl)-6-fluoro-7-[(1r,3r)-3-methylpiperazin-1-yl]-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 417.381 g·mol−1
Heat of Formation -797.5 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 457.43 Å 3
Surface Area 375.61 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-[(3r)-3-methylpiperazin-1-yl]quinoline-3-carboxylic acid
  • 1-(2,4-difluorophenyl)-6-fluoro-7-[(3r)-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
  • 1-(2,4-difluorophenyl)-6-fluoro-7-[(3r)-3-methylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
  • 1-(2,4-difluorophenyl)-6-fluoro-7-[(3r)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
InChIKey QKDHBVNJCZBTMR-LLVKDONJSA-N
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