chempirical

7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

C12H9ClFNO3CAS 68077-26-9269.66 g/mol

Open in Covalent MOL file
NOOHOFCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C12H9ClFNO3
Molar mass
269.66 g/mol
Exact mass
269.0255 Da
Melting point
208–210 °C
logP
2.51Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
68077-26-9
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21
InChIKey
WNNSMMJBBOPPOT-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClFNO3/c1-2-15-5-7(12(17)18)11(16)6-3-9(14)8(13)4-10(6)15/h3-5H,2H2,1H3,(H,17,18)

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Names and synonyms

11 names
  • 3-Quinolinecarboxylic acid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
  • 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • CGA 78039
  • 7-Chloro-1,4-dihydro-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • M 193324
  • 1-Ethyl-7-chloro-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • 1-Ethyl-1,4-dihydro-4-oxo-6-fluoro-7-chloro-3-quinolinecarboxylic acid
  • 7-Chloro-1-ethyl-6-fluoroquinolin-4-one-3-carboxylic acid
  • 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  • 1-Ethyl-6-fluoro-7-chloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
  • 1-Ethyl-6-fluoro-7-chloro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Work with 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic 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

Fluoroquinolonic acid86393-33-167 % similar Pefloxacin70458-92-366 % similar Norfloxacin70458-96-766 % similar Norfloxacin hydrochloride104142-93-062 % similar Oxolinic acid14698-29-462 % similar Pefloxacin mesylate70458-95-657 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-356 % similar Enoxacin74011-58-853 % similar

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

Elsewhere

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