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MFCD00269916 molecular structure
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2-azido-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline

ChemBase ID: 92174
Molecular Formular: C13H13N7
Molecular Mass: 267.28922
Monoisotopic Mass: 267.12324345
SMILES and InChIs

SMILES:
Cn1c(N=[N+]=[N-])nc2c1c(C)cc1c2nc(C)c(C)n1
Canonical SMILES:
[N-]=[N+]=Nc1nc2c(n1C)c(C)cc1c2nc(C)c(n1)C
InChI:
InChI=1S/C13H13N7/c1-6-5-9-10(16-8(3)7(2)15-9)11-12(6)20(4)13(17-11)18-19-14/h5H,1-4H3
InChIKey:
BCJPOFMRCSNCPT-UHFFFAOYSA-N

Cite this record

CBID:92174 http://www.chembase.cn/molecule-92174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-azido-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline
IUPAC Traditional name
2-azido-3,4,7,8-tetramethylimidazo[4,5-f]quinoxaline
Synonyms
2-AZIDO-4,7,8-TRIMEIQX
2-Azido-3,4,7,8-tetramethyl-3-H-imidazo[4,5-f]quinoxaline
MDL Number
MFCD00269916
PubChem SID
162078872
PubChem CID
3475198

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8625T external link Add to cart Please log in.
Data Source Data ID
PubChem 3475198 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.19552  H Acceptors
H Donor LogD (pH = 5.5) 2.5818622 
LogD (pH = 7.4) 2.5758295  Log P 2.6897938 
Molar Refractivity 75.2427 cm3 Polarizability 29.680067 Å3
Polar Surface Area 73.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - OR8625T external link
A novel analog of the food mutagen & carcinogen 4,7,8-TriMeIQx.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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