1-Ethyl-6,8-Difluoro-7-[(3R)-3-Methyl-1-Piperazinyl]-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C17H19F2N3O3
IUPAC Name 1-ethyl-6,8-difluoro-7-[(1r,3r)-3-methylpiperazin-1-yl]-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 351.348 g·mol−1
Heat of Formation -403.8 ± 16.7 kJ·mol−1
Dipole Moment 45.25 ± 1.08 D
Volume 394.64 Å 3
Surface Area 340.15 Å 2
HOMO Energy -6.98 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-ethyl-6,8-difluoro-4-keto-7-[(3r)-3-methylpiperazin-1-yl]quinoline-3-carboxylic acid
  • 1-ethyl-6,8-difluoro-7-[(3r)-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
  • 1-ethyl-6,8-difluoro-7-[(3r)-3-methylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
  • 1-ethyl-6,8-difluoro-7-[(3r)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
InChIKey ZEKZLJVOYLTDKK-SECBINFHSA-N
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