1-(2-Quinoxalinyl)ethanone

C₁₀H₈N₂OCAS 25594-62-1172.19 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₀H₈N₂O
Molar mass: 172.19 g/mol
Exact mass: 172.0637 Da
Melting point: 77 °C
logP: 1.83Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation71.4% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25594-62-1

SMILES

CC(=O)c1cnc2ccccc2n1

InChIKey

SWGILLQQUULMJB-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Ethanone, 1-(2-quinoxalinyl)-
Ketone, methyl 2-quinoxalinyl
2-Acetylquinoxaline
1-(Quinoxalin-2-yl)ethan-1-one

Work with 1-(2-Quinoxalinyl)ethanone

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

2-Quinoxalinecarboxylic acid879-65-259 % similar 2,6-Diacetylpyridine1129-30-252 % similar 2-Acetylpyridine1122-62-952 % similar 1-Quinolin-3-ylethanone33021-53-351 % similar 2-Methylquinoxaline7251-61-845 % similar 2-Acetylbenzothiazole1629-78-345 % similar 1-(1H-Benzimidazol-2-yl)ethanone939-70-845 % similar 1-(6-Methyl-2-pyridinyl)ethanone6940-57-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-Imidazol-1-yl)benzaldehyde10040-98-9 1H-Imidazol-1-ylphenylmethanone10364-94-0 2-(1H-Pyrazol-1-yl)benzaldehyde138479-47-7 6-Phenyl-3(2H)-pyridazinone2166-31-6 3-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-5 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-6 2-Hydroxy-3-phenylpyrazine2882-18-0 5-(Pyridin-2-yl)-2(1H)-pyridone381233-78-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook