(2-hydroxy-6-methoxyquinolin-3-yl)methyl 3,5-dimethoxybenzoate

• ChemBase ID: 200908
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: n1c(c(cc2c1ccc(c2)OC)COC(=O)c1cc(cc(c1)OC)OC)O
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)OCc1cc2cc(OC)ccc2nc1O
• InChI: InChI=1S/C20H19NO6/c1-24-15-4-5-18-12(7-15)6-14(19(22)21-18)11-27-20(23)13-8-16(25-2)10-17(9-13)26-3/h4-10H,11H2,1-3H3,(H,21,22)
• InChIKey: WWWYYZUPVIXNOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxy-6-methoxyquinolin-3-yl)methyl 3,5-dimethoxybenzoate
• IUPAC Traditional name: (2-hydroxy-6-methoxyquinolin-3-yl)methyl 3,5-dimethoxybenzoate

Database IDs

• PubChem SID: 164256818
• PubChem CID: 3728407

CALCULATED PROPERTIES

• Acid pKa: 11.268542
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.6766756
• LogD (pH = 7.4): 3.67667
• Log P: 3.676729
• Molar Refractivity: 98.3012 cm^3
• Polarizability: 39.11033 Å^3
• Polar Surface Area: 87.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds