8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

C₁₃H₈ClF₂NO₃CAS 101987-89-7299.66 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₃H₈ClF₂NO₃
Molar mass: 299.66 g/mol
Exact mass: 299.0161 Da
logP: 2.97Crippen estimate
Polar surface area: 59.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

101987-89-7

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O

InChIKey

ZHFGWIOLVRSZNQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H8ClF2NO3/c14-9-10(16)8(15)3-6-11(9)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)

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Names and synonyms

1 names

8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Work with 8-Chloro-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

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-071 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-365 % similar Clinafloxacin105956-97-665 % similar Fluoroquinolonic acid86393-33-165 % similar 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid100361-18-064 % similar 8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid80076-47-761 % similar Levofloxacin Q-acid100986-89-857 % similar 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid82419-35-057 % similar

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

Elsewhere

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