N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-3,4-dimethoxy-N-propylbenzamide

• ChemBase ID: 200072
• Molecular Formular: C23H26N2O5
• Molecular Mass: 410.46294
• Monoisotopic Mass: 410.18417194
• SMILES: c1(c(nc2c(c1)cc(cc2)OC)O)CN(C(=O)c1cc(c(cc1)OC)OC)CCC
• Canonical SMILES: CCCN(C(=O)c1ccc(c(c1)OC)OC)Cc1cc2cc(OC)ccc2nc1O
• InChI: InChI=1S/C23H26N2O5/c1-5-10-25(23(27)15-6-9-20(29-3)21(13-15)30-4)14-17-11-16-12-18(28-2)7-8-19(16)24-22(17)26/h6-9,11-13H,5,10,14H2,1-4H3,(H,24,26)
• InChIKey: OLQHCNZBHMUWSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-3,4-dimethoxy-N-propylbenzamide
• IUPAC Traditional name: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-3,4-dimethoxy-N-propylbenzamide

Database IDs

• PubChem SID: 164255982
• PubChem CID: 1804901

CALCULATED PROPERTIES

• Acid pKa: 11.381695
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.8505087
• LogD (pH = 7.4): 3.8505292
• Log P: 3.8505747
• Molar Refractivity: 114.4203 cm^3
• Polarizability: 44.885418 Å^3
• Polar Surface Area: 81.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds