Home > Compound List > Compound details
122719-38-4 molecular structure
click picture or here to close

2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-ol

ChemBase ID: 170100
Molecular Formular: C11H10N4O
Molecular Mass: 214.2233
Monoisotopic Mass: 214.08546096
SMILES and InChIs

SMILES:
c1cnc2c(c1)c1c(cc2O)n(c(n1)N)C
Canonical SMILES:
Oc1cc2c(c3c1nccc3)nc(n2C)N
InChI:
InChI=1S/C11H10N4O/c1-15-7-5-8(16)10-6(3-2-4-13-10)9(7)14-11(15)12/h2-5,16H,1H3,(H2,12,14)
InChIKey:
PVKASQOGWHOHIL-UHFFFAOYSA-N

Cite this record

CBID:170100 http://www.chembase.cn/molecule-170100.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-ol
IUPAC Traditional name
2-amino-3-methylimidazo[4,5-f]quinolin-5-ol
Synonyms
2-Amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-ol
5-Hydroxy-2-amino-3-methylimidazo[4,5-f]quinoline
CAS Number
122719-38-4
PubChem SID
164226010
PubChem CID
129767

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H785015 external link Add to cart
PubChem 129767 external link
Data Source Data ID Price
TRC
H785015 external link Add to cart Please log in.
Data Source Data ID
PubChem 129767 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.594103  H Acceptors
H Donor LogD (pH = 5.5) -0.18087341 
LogD (pH = 7.4) 0.6598119  Log P 0.8500062 
Molar Refractivity 59.9411 cm3 Polarizability 24.790005 Å3
Polar Surface Area 76.96 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H785015 external link
A major metabolite of the carcinogen 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), (A616500).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Luks, H.J.; Cancer Res., 49, 4407 (1989)
  • • Edenharder R., et al.: Mutation Res., 379, 21 (1989)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle