N,1-dimethyl-1H-imidazo[4,5-f]quinolin-2-amine

• ChemBase ID: 173990
• Molecular Formular: C12H12N4
• Molecular Mass: 212.25048
• Monoisotopic Mass: 212.1061964
• SMILES: c1cnc2c(c1)c1c(cc2)nc(n1C)NC
• Canonical SMILES: CNc1nc2c(n1C)c1cccnc1cc2
• InChI: InChI=1S/C12H12N4/c1-13-12-15-10-6-5-9-8(4-3-7-14-9)11(10)16(12)2/h3-7H,1-2H3,(H,13,15)
• InChIKey: HKYDQRBTHFIOJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-1H-imidazo[4,5-f]quinolin-2-amine
• IUPAC Traditional name: N,1-dimethylimidazo[4,5-f]quinolin-2-amine
• Synonyms: N,1-Dimethyl-1H-imidazo[4,5-f]quinolin-2-amine; N-MeisoIQ; 1-Methyl-2-methylaminoimidazo[4,5-F]quinoline

Database IDs

• CAS Number: 102408-28-6
• PubChem SID: 164229900
• PubChem CID: 149113

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.70033586
• LogD (pH = 7.4): 1.6981775
• Log P: 1.7978629
• Molar Refractivity: 63.4536 cm^3
• Polarizability: 26.077753 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 282-283°C

DETAILS

Toronto Research Chemicals - M322500

Exhibits an extraordinarily high mutagenic potency in the Ames test.