4-methoxy-2-methylquinolin-8-amine

• ChemBase ID: 246651
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c12c(c(cc(n1)C)OC)cccc2N
• Canonical SMILES: COc1cc(C)nc2c1cccc2N
• InChI: InChI=1S/C11H12N2O/c1-7-6-10(14-2)8-4-3-5-9(12)11(8)13-7/h3-6H,12H2,1-2H3
• InChIKey: INWGXAJFODVCSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-methylquinolin-8-amine
• IUPAC Traditional name: 4-methoxy-2-methylquinolin-8-amine
• Synonyms: 4-methoxy-2-methylquinolin-8-amine

Database IDs

• MDL Number: MFCD20693884
• PubChem SID: 164302561
• PubChem CID: 21820354

CALCULATED PROPERTIES

• Acid pKa: 19.549776
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.70437884
• LogD (pH = 7.4): 1.2603763
• Log P: 1.2756734
• Molar Refractivity: 55.7344 cm^3
• Polarizability: 22.392965 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.405

Product Information

• Purity: 95%