8-Chloroquinolin-2(1H)-one

C₉H₆ClNOCAS 23981-25-1179.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆ClNO
Molar mass: 179.60 g/mol
Exact mass: 179.0138 Da
logP: 2.18Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

23981-25-1

SMILES

C1=CC2=C(C(=C1)Cl)NC(=O)C=C2

InChIKey

JNXUGJMCFLONJN-UHFFFAOYSA-N

InChI

InChI=1S/C9H6ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)

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

Names and synonyms

1 names

8-Chloro-2-hydroxyquinoline

Work with 8-Chloroquinolin-2(1H)-one

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

Quinolinol1321-40-050 % similar 7-Chloroindole53924-05-348 % similar 7-Chloro-1H-indole-2-carboxylic acid28899-75-445 % similar 6-Bromoquinolin-2(1H)-one1810-66-839 % similar 6-Hydroxy-2(1H)-quinolinone19315-93-639 % similar 2-Fluoro-6-hydroxypyridine50543-23-236 % similar 8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-22-436 % similar 1-Chloronaphthalene90-13-135 % similar

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

Same formula

5-Chloro-8-hydroxyquinoline130-16-5 3-(3-Chlorophenyl)-3-oxopropanenitrile21667-62-9 2-Chloro-β-oxobenzenepropanenitrile40018-25-5 4-Chlorobenzoylacetonitrile4640-66-8 2-Chloro-1H-indole-3-carbaldehyde5059-30-3 7-Chloro-4-hydroxyquinoline86-99-7

Elsewhere

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