1-Quinolin-3-ylethanone

C11H9NOCAS 33021-53-3171.20 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C11H9NO
Molar mass
171.20 g/mol
Exact mass
171.0684 Da
logP
2.44Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
33021-53-3
SMILES
CC(=O)C1=CC2=CC=CC=C2N=C1
InChIKey
VMZYRGLKJCRGST-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(Quinolin-3-yl)ethan-1-one

Work with 1-Quinolin-3-ylethanone

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

Quinoline-3-carboxylic acid6480-68-861 % similar 2-Acetylnaphthalene93-08-356 % similar 1-(2-Quinoxalinyl)ethanone25594-62-151 % similar 3-Methylquinoline612-58-849 % similar Acetophenone98-86-247 % similar 1-(6-Methyl-3-pyridinyl)ethanone36357-38-746 % similar 1,3-Diacetylbenzene6781-42-645 % similar 3-Quinolinecarboxaldehyde13669-42-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylquinoline-6-carboxaldehyde108166-03-6 4-Phenylpyridine 1-oxide1131-61-9 1-Naphthalenecarboxamide2243-81-4 2-Naphthalenecarboxamide2243-82-5 4-Phenoxypyridine4783-86-2 2-(4-Hydroxypenyl)pyridine51035-40-6 2-Benzoylpyrrole7697-46-3

Elsewhere

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