chempirical

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

C13H9F2NO4CAS 82419-35-0281.21 g/mol

Open in Covalent MOL file
OFFOOHON
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C13H9F2NO4
Molar mass
281.21 g/mol
Exact mass
281.0500 Da
Melting point
309–311 °C
logP
1.93Crippen estimate
Polar surface area
68.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
82419-35-0
SMILES
CC1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey
NVKWWNNJFKZNJO-UHFFFAOYSA-N
InChI
InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)

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Names and synonyms

3 names
  • 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-
  • 9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
  • 9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Work with 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic 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

Similar compounds

Pazufloxacin127045-41-473 % similar Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate106939-34-872 % similar N-Desmethyl levofloxacin117707-40-170 % similar Ofloxacin82419-36-170 % similar 8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid80076-47-768 % similar Ofloxacin hydrochloride118120-51-767 % similar Levofloxacin hydrate138199-71-067 % similar Levofloxacin hydrochloride177325-13-267 % similar

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

Same formula

Levofloxacin Q-acid100986-89-8

Elsewhere

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