1-Ethyl-6,8-Difluoro-7-(4-Hydroxyphenyl)-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C18H13F2NO4
IUPAC Name 1-ethyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid
Molecular Mass 345.297 g·mol−1
Heat of Formation -836.6 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 370.91 Å 3
Surface Area 328.01 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1-ethyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-keto-quinoline-3-carboxylic acid
  • 1-ethyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-oxo-3-quinolinecarboxylic acid
  • 1-ethyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid
  • 1-ethyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
  • 1-ethyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-quinolone-3-carboxylic acid
  • 3-quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(4-hydroxyphenyl)-4-oxo-
  • cp 67804
  • cp-67,804
CAS Number(s)
  • 103978-08-1
InChIKey MYERGISJXHBTKE-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F