6,7-dimethoxy-1-methyl-3-(propan-2-yl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

• ChemBase ID: 225151
• Molecular Formular: C14H18N2O4
• Molecular Mass: 278.30372
• Monoisotopic Mass: 278.12665707
• SMILES: n1(c(=O)n(c2c(c1=O)cc(c(c2)OC)OC)C)C(C)C
• Canonical SMILES: COc1cc2c(cc1OC)n(C)c(=O)n(c2=O)C(C)C
• InChI: InChI=1S/C14H18N2O4/c1-8(2)16-13(17)9-6-11(19-4)12(20-5)7-10(9)15(3)14(16)18/h6-8H,1-5H3
• InChIKey: GJGBURVPVVAVKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-1-methyl-3-(propan-2-yl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
• IUPAC Traditional name: 3-isopropyl-6,7-dimethoxy-1-methylquinazoline-2,4-dione

Database IDs

• PubChem SID: 164281061
• PubChem CID: 56698828

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2927302
• LogD (pH = 7.4): 1.2927302
• Log P: 1.2927302
• Molar Refractivity: 73.8825 cm^3
• Polarizability: 27.927536 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds