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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:58:06 UTC
Update Date2023-02-21 17:23:59 UTC
HMDB IDHMDB0034175
Secondary Accession Numbers
  • HMDB34175
Metabolite Identification
Common Name2-Aminoquinoline
Description2-Aminoquinoline belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system. 2-Aminoquinoline has been detected, but not quantified in, a few different foods, such as common mushrooms (Agaricus bisporus), mushrooms, and oyster mushrooms (Pleurotus ostreatus). This could make 2-aminoquinoline a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 2-Aminoquinoline.
Structure
Thumb
Synonyms
ValueSource
Quinolin-2-ylamineChEMBL, HMDB
Quinolin-2-amineChEMBL, HMDB
2-amino-QuinolineHMDB
2-QuinolinamineHMDB
2-Quinolinamine, 9ciHMDB
a-AminoquinolineHMDB
AminoquinolineHMDB
Fragment 19HMDB
QuinolinamineHMDB
Chemical FormulaC9H8N2
Average Molecular Weight144.1732
Monoisotopic Molecular Weight144.068748266
IUPAC Namequinolin-2-amine
Traditional Name2-aminoquinoline
CAS Registry Number580-22-3
SMILES
N=C1NC2=CC=CC=C2C=C1
InChI Identifier
InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
InChI KeyGCMNJUJAKQGROZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassAminoquinolines and derivatives
Direct ParentAminoquinolines and derivatives
Alternative Parents
Substituents
  • Aminoquinoline
  • Aminopyridine
  • Imidolactam
  • Benzenoid
  • Pyridine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point131.5 - 132.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP1.87Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB012467
KNApSAcK IDC00055407
Chemspider ID10901
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAminoquinoline
METLIN IDNot Available
PubChem Compound11379
PDB ID2AQ
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .