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MFCD00269915 molecular structure
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2-azido-3-methyl-3H-imidazo[4,5-f]quinoline

ChemBase ID: 92111
Molecular Formular: C11H8N6
Molecular Mass: 224.22142
Monoisotopic Mass: 224.08104429
SMILES and InChIs

SMILES:
N(=[N+]=[N-])c1n(c2c(c3cccnc3cc2)n1)C
Canonical SMILES:
[N-]=[N+]=Nc1nc2c(n1C)ccc1c2cccn1
InChI:
InChI=1S/C11H8N6/c1-17-9-5-4-8-7(3-2-6-13-8)10(9)14-11(17)15-16-12/h2-6H,1H3
InChIKey:
DYMXFVKLXKRJTM-UHFFFAOYSA-N

Cite this record

CBID:92111 http://www.chembase.cn/molecule-92111.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-azido-3-methyl-3H-imidazo[4,5-f]quinoline
IUPAC Traditional name
2-azido-3-methylimidazo[4,5-f]quinoline
Synonyms
2-Azido-3-methylimidazo[4,5-f]quinoline
MDL Number
MFCD00269915
PubChem SID
162078809
PubChem CID
115105

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8525T external link Add to cart Please log in.
Data Source Data ID
PubChem 115105 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.2144403  H Acceptors
H Donor LogD (pH = 5.5) 2.6365957 
LogD (pH = 7.4) 2.6314783  Log P 2.676148 
Molar Refractivity 63.5474 cm3 Polarizability 25.284067 Å3
Polar Surface Area 60.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - OR8525T external link
A novel analog of the food mutagen & carcinogen IQ.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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