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102408-27-5 molecular structure
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N,N,3-trimethyl-3H-imidazo[4,5-f]quinolin-2-amine

ChemBase ID: 173576
Molecular Formular: C13H14N4
Molecular Mass: 226.27706
Monoisotopic Mass: 226.12184647
SMILES and InChIs

SMILES:
c1cnc2c(c1)c1c(cc2)n(c(n1)N(C)C)C
Canonical SMILES:
CN(c1nc2c(n1C)ccc1c2cccn1)C
InChI:
InChI=1S/C13H14N4/c1-16(2)13-15-12-9-5-4-8-14-10(9)6-7-11(12)17(13)3/h4-8H,1-3H3
InChIKey:
UWIKYLLSLVQQIG-UHFFFAOYSA-N

Cite this record

CBID:173576 http://www.chembase.cn/molecule-173576.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N,3-trimethyl-3H-imidazo[4,5-f]quinolin-2-amine
IUPAC Traditional name
N,N,3-trimethylimidazo[4,5-f]quinolin-2-amine
Synonyms
N,N,3-Trimethyl-3H-imidazo[4,5-f]quinolin-2-amine
N-Me2IQ
3-Methyl-2-dimethylamino-imidazo[4,5-f]quinoline
CAS Number
102408-27-5
PubChem SID
164229486
PubChem CID
93535

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M303500 external link Add to cart
PubChem 93535 external link
Data Source Data ID Price
TRC
M303500 external link Add to cart Please log in.
Data Source Data ID
PubChem 93535 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0622766  LogD (pH = 7.4) 2.4254284 
Log P 2.4331286  Molar Refractivity 67.6884 cm3
Polarizability 27.92879 Å3 Polar Surface Area 33.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
64-66°C expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M303500 external link
Exhibits an extraordinarily high mutagenic potency in the Ames test.

REFERENCES

REFERENCES

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  • • Kaiser, G., et al.: Chemico-Biol. Inter., 57, 97 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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