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

C₁₄H₁₂ClN₃O₂CAS 848133-76-6289.72 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile214470-68-552 % similar 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 4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile920966-02-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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