chempirical

1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C13H8F3NO3CAS 94695-52-0283.21 g/mol

Open in Covalent MOL file
NOFFFOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C13H8F3NO3
Molar mass
283.21 g/mol
Exact mass
283.0456 Da
logP
2.45Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
94695-52-0
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)F)F)C(=O)O
InChIKey
NMASXYCNDJMMFR-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F3NO3/c14-8-3-6-11(10(16)9(8)15)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
  • 1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoq

Work with 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-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

8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid101987-89-782 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-075 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-369 % similar Fluoroquinolonic acid86393-33-165 % similar 8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid80076-47-764 % similar 7-((4aS,7aS)-1,2,4a,5,7,7a-Hexahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid151213-15-964 % similar Levofloxacin Q-acid100986-89-863 % similar 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid82419-35-063 % similar

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

Elsewhere

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