chempirical

Grepafloxacin

C19H22FN3O3CAS 119914-60-2359.40 g/mol

Open in Covalent MOL file
FNNHOOHON
Aryl halideCarboxylic acidSecondary amineTertiary amine

Properties

Molecular formula
C19H22FN3O3
Molar mass
359.40 g/mol
Exact mass
359.1645 Da
Melting point
189–192 °C
logP
2.28Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
119914-60-2
SMILES
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1
InChIKey
AIJTTZAVMXIJGM-UHFFFAOYSA-N
InChI
InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)

Weigh it out

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

Names and synonyms

5 names
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-
  • 1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
  • Tomefloxacin
  • 1-Cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  • Dl-Grepafloxacin

Work with Grepafloxacin

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

Gatifloxacin112811-59-355 % similar Gatifloxacin160738-57-855 % similar Orbifloxacin113617-63-355 % similar Gatifloxacin sesquihydrate180200-66-253 % similar Ciprofloxacin85721-33-152 % similar Sparfloxacin110871-86-852 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-950 % similar Ciprofloxacin hydrochloride93107-08-550 % similar

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

Same formula

Enrofloxacin93106-60-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook