3,5-dimethoxy-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

• ChemBase ID: 200682
• Molecular Formular: C26H27N3O7
• Molecular Mass: 493.50848
• Monoisotopic Mass: 493.18490022
• SMILES: c12c(nc(NC(=O)c3cc(cc(c3)OC)OC)nc2)CC(c2cc(c(c(c2)OC)OC)OC)CC1=O
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)Nc1ncc2c(n1)CC(CC2=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C26H27N3O7/c1-32-17-6-16(7-18(12-17)33-2)25(31)29-26-27-13-19-20(28-26)8-14(9-21(19)30)15-10-22(34-3)24(36-5)23(11-15)35-4/h6-7,10-14H,8-9H2,1-5H3,(H,27,28,29,31)
• InChIKey: ATKQDNNQZNAADK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256592
• PubChem CID: 3732850

CALCULATED PROPERTIES

• Acid pKa: 9.205801
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 2.6345866
• LogD (pH = 7.4): 2.6282668
• Log P: 2.6346679
• Molar Refractivity: 133.0063 cm^3
• Polarizability: 50.092255 Å^3
• Polar Surface Area: 118.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds