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

• ChemBase ID: 160297
• Molecular Formular: C11H10N4
• Molecular Mass: 198.2239
• Monoisotopic Mass: 198.09054634
• SMILES: c1cnc2c(c1)c1c(cc2)nc(n1C)N
• Canonical SMILES: Cn1c(N)nc2c1c1cccnc1cc2
• InChI: InChI=1S/C11H10N4/c1-15-10-7-3-2-6-13-8(7)4-5-9(10)14-11(15)12/h2-6H,1H3,(H2,12,14)
• InChIKey: OVQPXFFZKPEXMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-imidazo[4,5-f]quinolin-2-amine
• IUPAC Traditional name: 1-methylimidazo[4,5-f]quinolin-2-amine
• Synonyms: IsoIQ; 2-Amino-1-methylimidazo[4,5-f]quinoline

Database IDs

• CAS Number: 102408-25-3
• PubChem SID: 162254432
• PubChem CID: 114988

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.10433415
• LogD (pH = 7.4): 0.8978639
• Log P: 1.4961587
• Molar Refractivity: 57.9602 cm^3
• Polarizability: 24.230944 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: Pale Brownish Yellow Solid
• Melting Point: >300°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - A616800

Exhibits an extraordinarily high mutagenic potency in the Ames test.