6-methoxy-2-methylquinolin-4-amine

• ChemBase ID: 87895
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c(cc(c2cc(ccc12)OC)N)C
• Canonical SMILES: COc1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C11H12N2O/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3,(H2,12,13)
• InChIKey: KLQQFYUSSBAOFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methylquinolin-4-amine
• IUPAC Traditional name: 6-methoxy-2-methylquinolin-4-amine
• Synonyms: 4-Amino-6-methoxy-2-methylquinoline; 6-methoxy-2-methyl-4-quinolinamine

Database IDs

• CAS Number: 104217-23-4
• MDL Number: MFCD00552889
• PubChem SID: 162074935
• PubChem CID: 774820

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5193991
• LogD (pH = 7.4): -0.020891286
• Log P: 1.2756734
• Molar Refractivity: 55.7344 cm^3
• Polarizability: 22.383718 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%
• Classification: Derivatives & analogs of Natural Compounds