N-[7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-4-methoxybenzamide

• ChemBase ID: 201273
• Molecular Formular: C24H23N3O5
• Molecular Mass: 433.45652
• Monoisotopic Mass: 433.16377085
• SMILES: c12c(nc(NC(=O)c3ccc(cc3)OC)nc2)CC(CC1=O)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ncc2c(n1)CC(CC2=O)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H23N3O5/c1-30-17-7-4-14(5-8-17)23(29)27-24-25-13-18-19(26-24)10-16(11-20(18)28)15-6-9-21(31-2)22(12-15)32-3/h4-9,12-13,16H,10-11H2,1-3H3,(H,25,26,27,29)
• InChIKey: ZUOBGDKIPVNTNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-4-methoxybenzamide
• IUPAC Traditional name: N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide

Database IDs

• PubChem SID: 164257183
• PubChem CID: 3161241

CALCULATED PROPERTIES

• Acid pKa: 9.661983
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.949982
• LogD (pH = 7.4): 2.9477594
• Log P: 2.9500103
• Molar Refractivity: 120.0799 cm^3
• Polarizability: 45.014435 Å^3
• Polar Surface Area: 99.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds