chempirical

Danofloxacin

C19H20FN3O3CAS 112398-08-0357.39 g/mol

Open in Covalent MOL file
NNFOOOHN
Aryl halideCarboxylic acidTertiary amine

Properties

Molecular formula
C19H20FN3O3
Molar mass
357.39 g/mol
Exact mass
357.1489 Da
logP
2.07Crippen estimate
Polar surface area
65.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
112398-08-0
SMILES
CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
InChIKey
QMLVECGLEOSESV-RYUDHWBXSA-N
InChI
InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-4-oxo-, (1S)-
  • 2,5-Diazabicyclo[2.2.1]heptane, 3-quinolinecarboxylic acid deriv.
  • 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-3-quinolinecarboxylic acid
  • Advocin
  • Advocip
  • Dafloxacin

Work with Danofloxacin

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

Danofloxacin mesylate119478-55-687 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-363 % similar Ciprofloxacin85721-33-162 % similar Enrofloxacin93106-60-661 % similar Fluoroquinolonic acid86393-33-160 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-959 % similar Ciprofloxacin hydrochloride93107-08-559 % similar Enrofloxacin hydrochloride112732-17-959 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook