3-benzyl-1-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

• ChemBase ID: 225242
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: n1(c(=O)n(c2c(c1=O)cccc2)CC(=C)C)Cc1ccccc1
• Canonical SMILES: CC(=C)Cn1c2ccccc2c(=O)n(c1=O)Cc1ccccc1
• InChI: InChI=1S/C19H18N2O2/c1-14(2)12-20-17-11-7-6-10-16(17)18(22)21(19(20)23)13-15-8-4-3-5-9-15/h3-11H,1,12-13H2,2H3
• InChIKey: XAAYJDKMSMRAFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-1-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
• IUPAC Traditional name: 3-benzyl-1-(2-methylprop-2-en-1-yl)quinazoline-2,4-dione

Database IDs

• PubChem SID: 164281152
• PubChem CID: 12227771

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.533774
• LogD (pH = 7.4): 3.533774
• Log P: 3.533774
• Molar Refractivity: 89.846 cm^3
• Polarizability: 34.025234 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds