1-Cyclopropyl-6-Fluoro-7-(3-Methoxyphenyl)-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C20H16FNO4
IUPAC Name 1-cyclopropyl-6-fluoro-7-(3-methoxyphenyl)-4-oxo-quinoline-3-carboxylic acid
Molecular Mass 353.344 g·mol−1
Heat of Formation -522.9 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 397.21 Å 3
Surface Area 353.41 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropyl-6-fluoro-4-keto-7-(3-methoxyphenyl)quinoline-3-carboxylic acid
  • 1-cyclopropyl-6-fluoro-7-(3-methoxyphenyl)-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-6-fluoro-7-(3-methoxyphenyl)-4-oxo-quinoline-3-carboxylic acid
  • 3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(4-methoxyphenyl)-4-oxo-
  • cp 80,080
  • cp 80080
CAS Number(s)
  • 152247-02-4
InChIKey MCESGLCNKHGCRJ-UHFFFAOYSA-N
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