chempirical

Flumequine

C14H12FNO3CAS 42835-25-6261.25 g/mol

Open in Covalent MOL file
FOOHON
Aryl halideCarboxylic acid

Properties

Molecular formula
C14H12FNO3
Molar mass
261.25 g/mol
Exact mass
261.0801 Da
Melting point
253–255 °C
logP
2.35Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
42835-25-6
SMILES
CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey
DPSPPJIUMHPXMA-UHFFFAOYSA-N
InChI
InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-1-oxo-
  • 9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid
  • R 802
  • Imequyl
  • Flumix
  • Flumisol
  • Flumiquil
  • R 802 (Bactericide)
  • Flumigal
  • Apurone
  • Fantacin
  • Firestop
  • (±)-Flumequine

Work with Flumequine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid80076-47-766 % similar Nadifloxacin124858-35-157 % similar 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid82419-35-054 % similar Pazufloxacin127045-41-449 % similar 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid101987-89-748 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-347 % similar N-Desmethyl levofloxacin117707-40-147 % similar Ofloxacin82419-36-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook