1-(4-Amino-2-Fluorophenyl)-6-Fluoro-1,4-Dihydro-7-(4-(2-(4-Methoxyphenyl)-2-Oxoethyl)-1-Piperazinyl)-4-Oxo-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C29H26F2N4O5
IUPAC Name 1-(4-amino-2-fluorophenyl)-6-fluoro-7-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Molecular Mass 548.537 g·mol−1
Heat of Formation -780.8 ± 16.7 kJ·mol−1
Dipole Moment 10.63 ± 1.08 D
Volume 617.33 Å 3
Surface Area 514.93 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-keto-7-[4-[2-keto-2-(4-methoxyphenyl)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid
  • 1-(4-amino-2-fluoro-phenyl)-6-fluoro-7-[4-[2-(4-methoxyphenyl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
  • 1-(4-amino-2-fluorophenyl)-6-fluoro-7-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
  • 3-quinolinecarboxylic acid, 1-(4-amino-2-fluorophenyl)-6-fluoro-1,4-dihydro-7-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-
InChIKey SGEXKBUPUPMDHN-UHFFFAOYSA-N
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