chempirical

Halquinol

C27H17Cl4N3O3CAS 8067-69-4573.25 g/mol

Open in Covalent MOL file
ClOHNNOHClClClOHN
Aryl halidePhenol

Properties

Molecular formula
C27H17Cl4N3O3
Molar mass
573.25 g/mol
Exact mass
571.0024 Da
logP
8.43Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
8067-69-4
SMILES
C1=CC2=C(C(=C(C=C2)Cl)O)N=C1.C1=CC2=C(C=CC(=C2N=C1)O)Cl.C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1
InChIKey
XCQBENAYFZFNAR-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2NO.2C9H6ClNO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-4,13H;2*1-5,12H

Weigh it out

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Names and synonyms

9 names
  • Nutriquinol
  • Chlorhydroxyquinoline
  • Chlorquinol
  • Quixalud
  • CHQ
  • Tarquinor
  • Halquivet
  • SQ 16401
  • Staquinol

Work with Halquinol

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

Chloroxine773-76-268 % similar 5-Chloro-8-hydroxyquinoline130-16-566 % similar Clioquinol130-26-752 % similar 5-Chloro-7-bromo-8-hydroxyquinoline7640-33-752 % similar 5-Chloro-1,10-phenanthroline4199-89-749 % similar 8-Hydroxyquinoline148-24-347 % similar 8-Chloroquinoline611-33-644 % similar 5-Bromo-8-hydroxyquinoline1198-14-742 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook