chempirical

Decoquinate

C24H35NO5CAS 18507-89-6417.55 g/mol

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OOOONHO
EsterEther

Properties

Molecular formula
C24H35NO5
Molar mass
417.55 g/mol
Exact mass
417.2515 Da
Melting point
242–245 °C
logP
5.62Crippen estimate
Polar surface area
77.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
14

Identifiers

CAS number
18507-89-6
SMILES
CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)c[nH]c2cc1OCC
InChIKey
JHAYEQICABJSTP-UHFFFAOYSA-N
InChI
InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)

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Names and synonyms

9 names
  • 3-Quinolinecarboxylic acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester
  • Ethyl 6-n-decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate
  • Deccox
  • M And B 15497
  • Ethyl 6-decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate
  • Ethyl 4-hydroxy-6-(decyloxy)-7-ethoxyquinoline-3-carboxylate
  • Decoxy
  • HC 1528
  • NSC 339057

Work with Decoquinate

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 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-457 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-751 % similar Nequinate13997-19-848 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-146 % similar Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-244 % similar Ethyl indole-3-carboxylate776-41-044 % similar Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-542 % similar Di-N-octyl phthalate117-84-039 % similar

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

Elsewhere

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