3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)

C₁₇H₁₉ClFN₃O₃CAS 86483-48-9367.81 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₁₉ClFN₃O₃
Molar mass: 367.81 g/mol
Exact mass: 367.1099 Da
logP: 2.01Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, P501

Identifiers

CAS number

86483-48-9

SMILES

Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

InChIKey

DIOIOSKKIYDRIQ-UHFFFAOYSA-N

InChI

InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H

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

Names and synonyms

1 names

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride

Work with 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ciprofloxacin hydrochloride monohydrate86393-32-0Hydrate Ciprofloxacin85721-33-1Free base Ciprofloxacin lactate97867-33-9Salt Ciprofloxacin hydrochloride anhydrous93107-08-5

Similar compounds

Enrofloxacin hydrochloride112732-17-977 % similar 7-Chloro-1-cyclopropyl-4-oxo-6-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid133210-96-572 % similar Norfloxacin hydrochloride104142-93-072 % similar Enrofloxacin93106-60-672 % similar Sarafloxacin hydrochloride91296-87-669 % similar Norfloxacin70458-96-767 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-367 % similar Sarafloxacin98105-99-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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