7-methoxy-3-methylquinolin-2-amine

• ChemBase ID: 816076
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1(cc2c(cc1)cc(c(n2)N)C)OC
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)C)N
• InChI: InChI=1S/C11H12N2O/c1-7-5-8-3-4-9(14-2)6-10(8)13-11(7)12/h3-6H,1-2H3,(H2,12,13)
• InChIKey: WBLHMNLNMGJYDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-3-methylquinolin-2-amine
• IUPAC Traditional name: 7-methoxy-3-methylquinolin-2-amine
• Synonyms: 2-AMINO-7-METHOXY-3-METHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.96252376
• LogD (pH = 7.4): 2.1329641
• Log P: 2.2521822
• Molar Refractivity: 56.4976 cm^3
• Polarizability: 22.384956 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%