6,8-Difluoro-1-(2-Fluoroethyl)-7-(4-Methyl-4-Oxido-1-Piperazinyl)-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C17H28F3N3O4++
IUPAC Name 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 395.417 g·mol−1
Heat of Formation -843.6 ± 16.7 kJ·mol−1
Dipole Moment 9.03 ± 1.08 D
Volume 413.39 Å 3
Surface Area 349.69 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3-quinolinecarboxylic acid, 6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, n-oxide
  • 6,8-difluoro-1-(2-fluoroethyl)-4-keto-7-(4-methyl-4-oxido-piperazin-4-ium-1-yl)quinoline-3-carboxylic acid
  • 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxido-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxylic acid
  • 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxylic acid
  • 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylic acid
  • ro 19-7728
  • ro-19-7728
CAS Number(s)
  • 104638-13-3
InChIKey DMTYHDPHOWDSJJ-UHFFFAOYSA-N
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