chempirical

Quinoline monohydrochloride

C9H8ClNCAS 530-64-3165.62 g/mol

Open in Covalent MOL file
HClN

Properties

Molecular formula
C9H8ClN
Molar mass
165.62 g/mol
Exact mass
165.0345 Da
Melting point
217–218 °C
logP
2.66Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
530-64-3
SMILES
Cl.c1ccc2ncccc2c1
InChIKey
PSXRWZBTVAZNSF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-7H;1H

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Names and synonyms

3 names
  • Quinoline, hydrochloride
  • Quinoline, hydrochloride (1:1)
  • Quinolinium chloride

Work with Quinoline monohydrochloride

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

1,5-Naphthyridine254-79-557 % similar 1,10-Phenanthroline hydrochloride3829-86-556 % similar 1,6-Naphthyridine253-72-552 % similar Acridine monohydrochloride17784-47-350 % similar Benzo[F]quinoline85-02-950 % similar Quinoxaline91-19-050 % similar Pyrido[2,3-B]pyrazine322-46-348 % similar 6-Iodoquinoline13327-31-647 % similar

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

Same formula

5-Chloro-2-methyl-1H-indole1075-35-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook