chempirical

Finafloxacin

C20H19FN4O4CAS 209342-40-5398.39 g/mol

Open in Covalent MOL file
NNHNOFOOOHN
Aryl halideCarboxylic acidEtherNitrileSecondary amineTertiary amine

Properties

Molecular formula
C20H19FN4O4
Molar mass
398.39 g/mol
Exact mass
398.1390 Da
logP
1.22Crippen estimate
Polar surface area
107.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
209342-40-5
SMILES
N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIKey
FYMHQCNFKNMJAV-HOTGVXAUSA-N
InChI
InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • 3-Quinolinecarboxylic acid, 8-cyano-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-hexahydropyrrolo[3,4-b]-1,4-oxazin-6(2H)-yl]-1,4-dihydro-4-oxo-
  • 8-Cyano-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-hexahydropyrrolo[3,4-b]-1,4-oxazin-6(2H)-yl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  • Xtoro

Work with Finafloxacin

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 acid151213-15-960 % 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 acid721970-36-159 % similar Moxifloxacin151096-09-258 % similar Moxifloxacin hydrochloride186826-86-856 % similar Gatifloxacin112811-59-352 % similar Gatifloxacin160738-57-852 % similar Gatifloxacin sesquihydrate180200-66-251 % similar Clinafloxacin105956-97-649 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook