3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

• ChemBase ID: 186010
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: N1(C(=O)c2c(NC1c1cc(c(c(c1)OC)OC)OC)cccc2)c1c(OC)cccc1
• Canonical SMILES: COc1cc(cc(c1OC)OC)C1Nc2ccccc2C(=O)N1c1ccccc1OC
• InChI: InChI=1S/C24H24N2O5/c1-28-19-12-8-7-11-18(19)26-23(25-17-10-6-5-9-16(17)24(26)27)15-13-20(29-2)22(31-4)21(14-15)30-3/h5-14,23,25H,1-4H3
• InChIKey: VOQFSAABMCFTSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
• IUPAC Traditional name: 3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

Database IDs

• PubChem SID: 164241920
• PubChem CID: 3154496

CALCULATED PROPERTIES

• Acid pKa: 11.973236
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.300116
• LogD (pH = 7.4): 4.300105
• Log P: 4.300116
• Molar Refractivity: 118.1352 cm^3
• Polarizability: 44.854233 Å^3
• Polar Surface Area: 69.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds