chempirical

7-Chloro-1-cyclopropyl-4-oxo-6-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid

C17H18ClN3O3CAS 133210-96-5347.80 g/mol

Open in Covalent MOL file
NOClNHNOOH
Aryl halideCarboxylic acidSecondary amineTertiary amine

Properties

Molecular formula
C17H18ClN3O3
Molar mass
347.80 g/mol
Exact mass
347.1037 Da
logP
2.10Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
133210-96-5
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)N4CCNCC4)C(=O)O
InChIKey
CMKOKYODRILRKU-UHFFFAOYSA-N
InChI
InChI=1S/C17H18ClN3O3/c18-13-8-14-11(7-15(13)20-5-3-19-4-6-20)16(22)12(17(23)24)9-21(14)10-1-2-10/h7-10,19H,1-6H2,(H,23,24)

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Names and synonyms

1 names
  • Ciprofloxacin ep impurity D

Work with 7-Chloro-1-cyclopropyl-4-oxo-6-(piperazin-1-yl)-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

Ciprofloxacin85721-33-176 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-972 % similar Ciprofloxacin hydrochloride93107-08-572 % similar Ciprofloxacin hydrochloride monohydrate86393-32-069 % similar Ciprofloxacin lactate97867-33-964 % similar Fluoroquinolonic acid86393-33-163 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-358 % similar Enrofloxacin93106-60-657 % similar

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

Elsewhere

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