| Common Name |
2-Amino-3,4-dimethylimidazo[4,5-f]quinoline
| Description |
2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is found in animal foods. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is isolated from sardines, beef extract and hamburger, probably widely distributed in cooked foods2-amino-3,4-dimethylimidazo[4,5-f]quinoline belongs to the family of Aminoquinolines and Derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29707 (2-Amino-3,4-dimethylimidazo[4,5-f]quinoline)
| Synonyms |
| Value |
Source |
2-amino-3,4-dimethylimidazo[4,5-F]QuinolineKegg
2-amino-3,4-Dimethyl-3H-imidazo(4,5-F)quinolineHMDB
2-amino-3,4-Dimethyl-3H-imidazo[4,5-F]quinolineHMDB
2-amino-3,4-dimethylimidazo(4,5-F)QuinolineHMDB
3,4-Dimethyl-3H-imidazo(4,5-F)quinolin-2-amineHMDB
3,4-Dimethyl-3H-imidazo[4,5-F]quinolin-2-amineHMDB
Me iqHMDB
Me-iqHMDB
MELQHMDB
Methyl iqHMDB
Methyl-iqHMDB
| Chemical Formlia |
C12H12N4
| Average Molecliar Weight |
212.2505
| Monoisotopic Molecliar Weight |
212.106196404
| IUPAC Name |
3,4-dimethyl-3H-imidazo[4,5-f]quinolin-2-amine
| Traditional Name |
3,4-dimethylimidazo[4,5-f]quinolin-2-amine
| CAS Registry Number |
77094-11-2
| SMILES |
CN1C(N)=NC2=C1C(C)=CC1=C2C=CC=N1
| InChI Identifier |
InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)
| InChI Key |
GMGWMIJIGUYNAY-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound 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.
| Kingdom |
Organic compounds
| Super Class |
Organoheterocyclic compounds
| Class |
Quinolines and derivatives
| Sub Class |
Aminoquinolines and derivatives
| Direct Parent |
Aminoquinolines and derivatives
| Alternative Parents |
Benzimidazoles
Pyridines and derivatives
Primary aromatic amines
N-substituted imidazoles
Benzenoids
Aminoimidazoles
Heteroaromatic compounds
Azacyclic compounds
Hydrocarbon derivatives
| Substituents |
Aminoquinoline
Benzimidazole
Benzenoid
Pyridine
Primary aromatic amine
N-substituted imidazole
Aminoimidazole
Heteroaromatic compound
Imidazole
Azole
Azacycle
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Amine
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point296 – 298 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP1.98Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.39 mg/mLALOGPS
logP1.75ALOGPS
logP2.01ChemAxon
logS-2.7ALOGPS
pKa (Strongest Basic)7.98ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area56.73 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity63 m3·mol-1ChemAxon
Polarizability23.29 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000901
| KNApSAcK ID |
Not Available
| Chemspider ID |
56075
| KEGG Compound ID |
C19254
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29707
| Metagene Link |
HMDB29707
| METLIN ID |
Not Available
| PubChem Compound |
62274
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: MK-571 (sodium salt)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 1874281