Copper 8-hydroxyquinoline (CHEM016141)

Record Information
Version1.0
Creation Date2016-05-20 16:16:26 UTC
Update Date2026-04-16 21:03:09 UTC
Accession NumberCHEM016141
Identification
Common NameCopper 8-hydroxyquinoline
ClassSmall Molecule
Description
Contaminant Sources
  • IARC Carcinogens Group 3
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Copper 8-hydroxyquinolineKegg
Cu 8QMeSH
Bis(8-quinolinolato)copper(II)MeSH
Cupric 8-quinolinoxideMeSH
Copper(II) oxinateMeSH
Copper oxinateMeSH
Copper;quinolin-8-olic acidGenerator
Chemical FormulaC18H12CuN2O2
Average Molecular Mass351.852 g/mol
Monoisotopic Mass351.019 g/mol
CAS Registry Number10380-28-6
IUPAC Namecopper(2+) ion bis(quinolin-8-olate)
Traditional Namecopper(2+) ion bis(quinolin-8-olate)
SMILES[Cu++].[O-]C1=CC=CC2=C1N=CC=C2.[O-]C1=CC=CC2=C1N=CC=C2
InChI IdentifierInChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
InChI KeyYXLXNENXOJSQEI-UHFFFAOYSA-L
Chemical Taxonomy
Description Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassNot Available
Direct ParentQuinolines and derivatives
Alternative Parents
Substituents
  • Quinoline
  • Phenoxide
  • Pyridine
  • Benzenoid
  • Heteroaromatic compound
  • Organic transition metal salt
  • Azacycle
  • Organic copper salt
  • Organic salt
  • Organic oxide
  • Organic zwitterion
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.008 g/LALOGPS
logP4.02ALOGPS
logP1.83ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)9.36ChemAxon
pKa (Strongest Basic)4.83ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area35.95 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity52.51 m³·mol⁻¹ChemAxon
Polarizability14.48 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID3032555
Kegg Compound IDC18879
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References