6-methoxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-ol

• ChemBase ID: 184554
• Molecular Formular: C19H19NO3
• Molecular Mass: 309.35906
• Monoisotopic Mass: 309.13649347
• SMILES: c1(c(c2c(nc1C)ccc(c2)OC)O)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Cc1c(C)nc2c(c1O)cc(cc2)OC
• InChI: InChI=1S/C19H19NO3/c1-12-16(10-13-4-6-14(22-2)7-5-13)19(21)17-11-15(23-3)8-9-18(17)20-12/h4-9,11H,10H2,1-3H3,(H,20,21)
• InChIKey: RFQCASPLCNZGTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-ol
• IUPAC Traditional name: 6-methoxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-ol

Database IDs

• PubChem SID: 164240464
• PubChem CID: 826022

CALCULATED PROPERTIES

• Acid pKa: 11.094766
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.731456
• LogD (pH = 7.4): 3.735023
• Log P: 3.7351568
• Molar Refractivity: 89.2153 cm^3
• Polarizability: 35.71845 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds