N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-4-methoxy-N-methylbenzamide

• ChemBase ID: 198994
• Molecular Formular: C20H20N2O4
• Molecular Mass: 352.3838
• Monoisotopic Mass: 352.14230713
• SMILES: c1(c(nc2c(c1)cc(cc2)OC)O)CN(C(=O)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)C(=O)N(Cc1cc2cc(OC)ccc2nc1O)C
• InChI: InChI=1S/C20H20N2O4/c1-22(20(24)13-4-6-16(25-2)7-5-13)12-15-10-14-11-17(26-3)8-9-18(14)21-19(15)23/h4-11H,12H2,1-3H3,(H,21,23)
• InChIKey: HTMJTHULJOVVSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-4-methoxy-N-methylbenzamide
• IUPAC Traditional name: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-4-methoxy-N-methylbenzamide

Database IDs

• PubChem SID: 164254904
• PubChem CID: 3272930

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.12885
• LogD (pH = 7.4): 3.12887
• Log P: 3.1289158
• Molar Refractivity: 98.6845 cm^3
• Polarizability: 38.682816 Å^3
• Polar Surface Area: 71.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 11.381809

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds