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

Molecule SVG Image

Properties Simple | Detailed

Formula C25H29F2N4O5+
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 503.518 g·mol−1
Heat of Formation 1861.7 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 448.99 Å 3
Surface Area 413.26 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -3.22 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C N O F