2-methyl-3-(2-phenylethyl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 194231
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: n1(c(=O)c2c(nc1C)cccc2)CCc1ccccc1
• Canonical SMILES: Cc1nc2ccccc2c(=O)n1CCc1ccccc1
• InChI: InChI=1S/C17H16N2O/c1-13-18-16-10-6-5-9-15(16)17(20)19(13)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
• InChIKey: OAIJPTGFGSKJKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(2-phenylethyl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-methyl-3-(2-phenylethyl)quinazolin-4-one

Database IDs

• PubChem SID: 164250141
• PubChem CID: 63248

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0067916
• LogD (pH = 7.4): 3.0102072
• Log P: 3.0102508
• Molar Refractivity: 81.6542 cm^3
• Polarizability: 30.107239 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds