chempirical

Garenoxacin

C23H20F2N2O4CAS 194804-75-6426.42 g/mol

Open in Covalent MOL file
HNOOOHNOFF
Alkyl halideCarboxylic acidEtherSecondary amine

Properties

Molecular formula
C23H20F2N2O4
Molar mass
426.42 g/mol
Exact mass
426.1391 Da
logP
4.47Crippen estimate
Polar surface area
80.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
194804-75-6
SMILES
C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21
InChIKey
NJDRXTDGYFKORP-LLVKDONJSA-N
InChI
InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m1/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-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-(2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, (+)-
  • 1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • T 3811
  • Ganefloxacin
  • Garenfloxacin
  • (R)-1-Cyclopropyl-8-(difluoromethoxy)-7-(1-methylisoindolin-5-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Work with Garenoxacin

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

Garenoxacin mesylate hydrate223652-90-285 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-046 % similar Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxoquinoline-3-carboxylate194805-07-744 % similar Gatifloxacin112811-59-343 % similar Gatifloxacin160738-57-843 % similar Moxifloxacin151096-09-243 % similar Ozenoxacin245765-41-742 % similar Gatifloxacin sesquihydrate180200-66-242 % similar

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

Elsewhere

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