7-methoxy-2-methylquinolin-4-amine

• ChemBase ID: 805191
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1(cc2c(cc1)c(cc(n2)C)N)OC
• Canonical SMILES: COc1ccc2c(c1)nc(cc2N)C
• InChI: InChI=1S/C11H12N2O/c1-7-5-10(12)9-4-3-8(14-2)6-11(9)13-7/h3-6H,1-2H3,(H2,12,13)
• InChIKey: DFEFIEPUGGZAFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2-methylquinolin-4-amine
• IUPAC Traditional name: 7-methoxy-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-7-METHOXY-2-METHYLQUINOLINE

Database IDs

• CAS Number: 66735-41-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5208862
• LogD (pH = 7.4): -0.057371058
• Log P: 1.2756734
• Molar Refractivity: 55.7344 cm^3
• Polarizability: 22.383503 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%