chempirical

Ethyl 6,8-difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate

C19H22F2N4O4CAS 158585-86-5408.41 g/mol

Open in Covalent MOL file
OONNOFNNFO
AmideAryl halideEsterTertiary amine

Properties

Molecular formula
C19H22F2N4O4
Molar mass
408.41 g/mol
Exact mass
408.1609 Da
logP
0.93Crippen estimate
Polar surface area
75.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Identifiers

CAS number
158585-86-5
SMILES
CCOC(=O)c1cn(N(C)C=O)c2c(F)c(N3CCN(C)CC3)c(F)cc2c1=O
InChIKey
XIGJGGWZMZNKHM-UHFFFAOYSA-N
InChI
InChI=1S/C19H22F2N4O4/c1-4-29-19(28)13-10-25(23(3)11-26)16-12(18(13)27)9-14(20)17(15(16)21)24-7-5-22(2)6-8-24/h9-11H,4-8H2,1-3H3

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Names and synonyms

2 names
  • 3-Quinolinecarboxylic acid, 6,8-difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, ethyl ester
  • Ethyl 6,8-difluoro-1,4-dihydro-1-(N-methylformamido)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate

Work with Ethyl 6,8-difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate

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

Fleroxacin79660-72-349 % similar Marbofloxacin115550-35-148 % similar Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate106939-34-846 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester112811-71-946 % similar Ofloxacin82419-36-142 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-142 % similar Ofloxacin hydrochloride118120-51-741 % similar Levofloxacin hydrate138199-71-041 % similar

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

Elsewhere

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