chempirical

Ozenoxacin

C21H21N3O3CAS 245765-41-7363.42 g/mol

Open in Covalent MOL file
NHNOOOHN
Carboxylic acid

Properties

Molecular formula
C21H21N3O3
Molar mass
363.42 g/mol
Exact mass
363.1583 Da
logP
3.18Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
245765-41-7
SMILES
CN=c1[nH]cc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C
InChIKey
XPIJWUTXQAGSLK-UHFFFAOYSA-N
InChI
InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)

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Names and synonyms

7 names
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-1,4-dihydro-8-methyl-7-[5-methyl-6-(methylamino)-3-pyridinyl]-4-oxo-
  • 1-Cyclopropyl-1,4-dihydro-8-methyl-7-[5-methyl-6-(methylamino)-3-pyridinyl]-4-oxo-3-quinolinecarboxylic acid
  • T 3912
  • 1-Cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)-3-pyridinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
  • Xepi
  • GF 001001-00
  • 1-Cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)pyridin-3-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Work with Ozenoxacin

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

Ethyl 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate446299-90-744 % similar Garenoxacin194804-75-642 % similar 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid101987-89-741 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-041 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-340 % similar Ethyl 7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate103877-51-640 % similar Fluoroquinolonic acid86393-33-139 % similar Garenoxacin mesylate hydrate223652-90-237 % similar

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

Elsewhere

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