3-methoxy-N-(8-methoxy-2-methylquinolin-4-yl)benzamide

• ChemBase ID: 220947
• Molecular Formular: C19H18N2O3
• Molecular Mass: 322.35782
• Monoisotopic Mass: 322.13174245
• SMILES: c1(c2c(nc(c1)C)c(OC)ccc2)NC(=O)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(=O)Nc1cc(C)nc2c1cccc2OC
• InChI: InChI=1S/C19H18N2O3/c1-12-10-16(15-8-5-9-17(24-3)18(15)20-12)21-19(22)13-6-4-7-14(11-13)23-2/h4-11H,1-3H3,(H,20,21,22)
• InChIKey: YLNMRTUTZUCWAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-(8-methoxy-2-methylquinolin-4-yl)benzamide
• IUPAC Traditional name: 3-methoxy-N-(8-methoxy-2-methylquinolin-4-yl)benzamide

Database IDs

• PubChem SID: 164276857
• PubChem CID: 24220820

CALCULATED PROPERTIES

• Acid pKa: 10.514256
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0259438
• LogD (pH = 7.4): 3.0382867
• Log P: 3.0388129
• Molar Refractivity: 93.0307 cm^3
• Polarizability: 36.360935 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds