chempirical

N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide

C14H12ClN3O2CAS 848133-76-6289.72 g/mol

Open in Covalent MOL file
ONNClNHO
Aryl halideEtherNitrile

Properties

Molecular formula
C14H12ClN3O2
Molar mass
289.72 g/mol
Exact mass
289.0618 Da
Melting point
250 °C
logP
3.77Crippen estimate
Polar surface area
78.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
848133-76-6
SMILES
CCOc1cc2ncc(C#N)c(Cl)c2cc1N=C(C)O
InChIKey
XDXGFTCQRAQEEG-UHFFFAOYSA-N
InChI
InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19)

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Names and synonyms

5 names
  • Acetamide, N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)-
  • 4-Chloro-3-cyano-7-ethoxy-6-(N-acetylamino)quinoline
  • 4-Chloro-3-cyano-7-ethoxy-6-(acetylamino)quinoline
  • N-(4-Chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide
  • N-(4-Chloro-3-cyano-7-ethoxyquinoline-6-yl)acetamide

Work with N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide

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

4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile622369-40-845 % similar 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile305371-18-043 % similar N-(2-Ethoxy-4-nitrophenyl)acetamide116496-76-538 % similar 2-Ethoxybenzonitrile6609-57-034 % similar Pelitinib257933-82-734 % similar Neratinib698387-09-633 % similar Phenacetin62-44-232 % similar Ethopabate59-06-332 % similar

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

Elsewhere

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