chempirical

Clinafloxacin

C17H17ClFN3O3CAS 105956-97-6365.79 g/mol

Open in Covalent MOL file
H2NNFOOOHNCl
Aryl halideCarboxylic acidPrimary amineTertiary amine

Properties

Molecular formula
C17H17ClFN3O3
Molar mass
365.79 g/mol
Exact mass
365.0942 Da
Melting point
253–258 °C (decomposes)
logP
2.36Crippen estimate
Polar surface area
88.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
105956-97-6
SMILES
NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChIKey
QGPKADBNRMWEQR-UHFFFAOYSA-N
InChI
InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)

Weigh it out

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

Names and synonyms

3 names
  • 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
  • 7-(3-Amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • PD 127391

Work with Clinafloxacin

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 acid101987-89-765 % similar Sitafloxacin127254-12-058 % similar Gatifloxacin112811-59-356 % similar Gatifloxacin160738-57-856 % similar Balofloxacin127294-70-655 % similar 1-Cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4as,7as)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid151213-15-954 % similar Gatifloxacin sesquihydrate180200-66-254 % similar 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4as,7as)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid721970-36-153 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook