Fluoroquinolonic acid

C13H9ClFNO3CAS 86393-33-1281.67 g/mol

Open in Covalent MOL file
OHONClFO
Aryl halideCarboxylic acid

Properties

Molecular formula
C13H9ClFNO3
Molar mass
281.67 g/mol
Exact mass
281.0255 Da
Melting point
245–246 °C
logP
2.83Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 607-262-00-0), via PubChem.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number
86393-33-1
SMILES
O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIKey
ISPVACVJFUIDPD-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)

Weigh it out

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

Names and synonyms

10 names
  • 3-Quinolinecarboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
  • 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  • 1-Cyclopropyl-6-fluoro-7-chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • 7-Chloro-1-cyclopropyl-6-fluoro-3-carboxy-1,4-dihydro-4-oxoquinoline
  • 1-Cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  • 1-Cyclopropyl-1,4-dihydro-4-oxo-6-fluoro-7-chloro-3-quinolinecarboxylic acid
  • 1-Cyclopropyl-6-fluoro-7-chloro-1,4-dihydro-4-oxoquinolin-3-carboxylic acid
  • 7-Chloro-1-cyclopropyl-6-fluoroquinolin-4-one-3-carboxylic acid
  • 7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Work with Fluoroquinolonic acid

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

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-384 % similar 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid68077-26-967 % similar Ciprofloxacin85721-33-167 % similar 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid94695-52-065 % similar 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid100361-18-065 % similar 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid101987-89-765 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-963 % similar Enrofloxacin93106-60-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene443882-99-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook