3-(4-methoxyphenyl)-2-(2-methylpropyl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 188692
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: n1(c(=O)c2c(nc1CC(C)C)cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)n1c(CC(C)C)nc2c(c1=O)cccc2
• InChI: InChI=1S/C19H20N2O2/c1-13(2)12-18-20-17-7-5-4-6-16(17)19(22)21(18)14-8-10-15(23-3)11-9-14/h4-11,13H,12H2,1-3H3
• InChIKey: UZZXZEWCCFRUCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-2-(2-methylpropyl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 3-(4-methoxyphenyl)-2-(2-methylpropyl)quinazolin-4-one

Database IDs

• PubChem SID: 164244602
• PubChem CID: 904618

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9295273
• LogD (pH = 7.4): 3.9295273
• Log P: 3.9295273
• Molar Refractivity: 92.3039 cm^3
• Polarizability: 34.636066 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds