3-benzyl-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

• ChemBase ID: 225172
• Molecular Formular: C18H18N2O4
• Molecular Mass: 326.34652
• Monoisotopic Mass: 326.12665707
• SMILES: n1(c(=O)n(c2c(c1=O)cc(c(c2)OC)OC)C)Cc1ccccc1
• Canonical SMILES: COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(c2cc1OC)C
• InChI: InChI=1S/C18H18N2O4/c1-19-14-10-16(24-3)15(23-2)9-13(14)17(21)20(18(19)22)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
• InChIKey: YHHTYHXAWQAASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
• IUPAC Traditional name: 3-benzyl-6,7-dimethoxy-1-methylquinazoline-2,4-dione

Database IDs

• PubChem SID: 164281082
• PubChem CID: 56723730

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2438202
• LogD (pH = 7.4): 2.2438202
• Log P: 2.2438202
• Molar Refractivity: 89.3277 cm^3
• Polarizability: 33.798214 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds