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 acid

C₂₀H₂₂FN₃O₄CAS 721970-36-1387.41 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol Secondary amine Tertiary amine

Properties

Molecular formula: C₂₀H₂₂FN₃O₄
Molar mass: 387.41 g/mol
Exact mass: 387.1594 Da
logP: 2.07Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

721970-36-1

SMILES

O=C(O)c1cn(C2CC2)c2c(O)c(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc2c1=O

InChIKey

IRASTQSQRDRSEH-ZUZCIYMTSA-N

InChI

InChI=1S/C20H22FN3O4/c21-14-6-12-16(24(11-3-4-11)8-13(18(12)25)20(27)28)19(26)17(14)23-7-10-2-1-5-22-15(10)9-23/h6,8,10-11,15,22,26H,1-5,7,9H2,(H,27,28)/t10-,15+/m0/s1

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Names and synonyms

1 names

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-

Work with 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 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

1-Cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4as,7as)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid151213-15-984 % similar Moxifloxacin151096-09-278 % similar Moxifloxacin hydrochloride186826-86-875 % similar Finafloxacin209342-40-559 % similar Gatifloxacin112811-59-354 % similar Gatifloxacin160738-57-854 % similar Clinafloxacin105956-97-653 % similar Gatifloxacin sesquihydrate180200-66-252 % similar

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

Elsewhere

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