1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4ar,7ar)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid

C₂₁H₂₄FN₃O₄CAS 268545-13-7401.44 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₁H₂₄FN₃O₄
Molar mass: 401.44 g/mol
Exact mass: 401.1751 Da
logP: 2.37Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

268545-13-7

SMILES

COC1=C2C(=CC(=C1N3C[C@H]4CCCN[C@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O

InChIKey

FABPRXSRWADJSP-BZNIZROVSA-N

InChI

InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m1/s1

Weigh it out

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

Names and synonyms

1 names

Moxifloxacin, (R)-

Work with 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4ar,7ar)-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

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.

Moxifloxacin151096-09-2Enantiomer Moxifloxacin hydrochloride186826-86-8Salt, enantiomer

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 acid151213-15-979 % 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 acid721970-36-178 % similar Gatifloxacin112811-59-371 % similar Gatifloxacin160738-57-871 % similar Gatifloxacin sesquihydrate180200-66-269 % similar Balofloxacin127294-70-668 % similar Gatifloxacin mesylate316819-28-066 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-063 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook