6,7-dimethoxy-3-(2-methylprop-2-en-1-yl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 221453
• Molecular Formular: C14H16N2O3
• Molecular Mass: 260.28844
• Monoisotopic Mass: 260.11609238
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=C)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=C)C
• InChI: InChI=1S/C14H16N2O3/c1-9(2)7-16-8-15-11-6-13(19-4)12(18-3)5-10(11)14(16)17/h5-6,8H,1,7H2,2-4H3
• InChIKey: XPVPKLRJEIDKQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-3-(2-methylprop-2-en-1-yl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 6,7-dimethoxy-3-(2-methylprop-2-en-1-yl)quinazolin-4-one

Database IDs

• PubChem SID: 164277363
• PubChem CID: 29147387

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6071287
• LogD (pH = 7.4): 1.6076794
• Log P: 1.6076864
• Molar Refractivity: 74.1672 cm^3
• Polarizability: 27.154882 Å^3
• Polar Surface Area: 51.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds