1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

C₁₃H₉F₂NO₃CAS 93107-30-3265.22 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₃H₉F₂NO₃
Molar mass: 265.22 g/mol
Exact mass: 265.0550 Da
Melting point: 284–286 °C
logP: 2.31Crippen estimate
Polar surface area: 59.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H361f *** Suspected of damaging fertilityReproductive toxicity
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-303-00-2), via PubChem.

Precautionary statements

P203, P273, P280, P318, P405, P501

Identifiers

CAS number

93107-30-3

SMILES

O=C(O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O

InChIKey

KNEXGVPHPGXAGF-UHFFFAOYSA-N

InChI

InChI=1S/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)

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

Names and synonyms

7 names

3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
X 3
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinolin-3-carboxylic acid
1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
1-Cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid

Work with 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic 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 acid86393-33-184 % similar Ciprofloxacin85721-33-170 % similar 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid94695-52-069 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-967 % similar Enrofloxacin93106-60-667 % similar Ciprofloxacin hydrochloride anhydrous93107-08-567 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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