1-(5-Amino-2,4-Difluorophenyl)-6-Fluoro-8-Methyl-7-Methylamino-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H29F3N3O3+
IUPAC Name 1-(5-amino-2,4-difluoro-cyclohexyl)-6-fluoro-8-methyl-7-(methylamino)-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 392.436 g·mol−1
Heat of Formation -805.3 ± 16.7 kJ·mol−1
Dipole Moment 9.42 ± 1.08 D
Volume 398.23 Å 3
Surface Area 341.17 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-amino-4,6-difluorophenyl)-6-fluoro-8-methyl-7-(methylamino)-4-oxohydroquinoline-3-carboxylic acid
  • 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-4-keto-8-methyl-7-methylamino-quinoline-3-carboxylic acid
  • 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-8-methyl-7-methylamino-4-oxo-quinoline-3-carboxylic acid
  • 1-(5-amino-2,4-difluorophenyl)-6-fluoro-8-methyl-7-methylamino-4-oxo-3-quinolinecarboxylic acid
  • wq-2944
  • wq-3402
InChIKey TWDPTHJRSFSGKQ-UHFFFAOYSA-N
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