Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-A]quinoline-3-carboxylate

C₁₈H₂₀FN₃O₃SCAS 113028-17-4377.43 g/mol

Open in Covalent MOL file

Aryl halide Ester Secondary amine Sulfide Tertiary amine

Properties

Molecular formula: C₁₈H₂₀FN₃O₃S
Molar mass: 377.43 g/mol
Exact mass: 377.1209 Da
Melting point: 224 °C
logP: 2.35Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

Identifiers

CAS number

113028-17-4

SMILES

CCOC(=O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)C(C)S2

InChIKey

XWZXETKTFKCCPB-UHFFFAOYSA-N

InChI

InChI=1S/C18H20FN3O3S/c1-3-25-18(24)15-16(23)11-8-12(19)14(21-6-4-20-5-7-21)9-13(11)22-10(2)26-17(15)22/h8-10,20H,3-7H2,1-2H3

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Names and synonyms

1 names

1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-, ethyl ester

Work with Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-A]quinoline-3-carboxylate

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

Ethyl 6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-A]quinoline-3-carboxylate113046-72-374 % similar Ulifloxacin112984-60-873 % similar Prulifloxacin123447-62-150 % similar 1H,4H-[1,3]Thiazeto[3,2-A]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-, hydrochloride (1:1)123447-63-248 % similar Norfloxacin70458-96-745 % similar Norfloxacin hydrochloride104142-93-044 % similar Ciprofloxacin85721-33-144 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-942 % similar

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

Elsewhere

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