4-(2,3-dimethoxyphenyl)-2-methylquinazoline

• ChemBase ID: 759512
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: c1(c2c(c(OC)ccc2)OC)nc(nc2c1cccc2)C
• Canonical SMILES: COc1c(OC)cccc1c1nc(C)nc2c1cccc2
• InChI: InChI=1S/C17H16N2O2/c1-11-18-14-9-5-4-7-12(14)16(19-11)13-8-6-10-15(20-2)17(13)21-3/h4-10H,1-3H3
• InChIKey: BVVLEINEVUMBAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dimethoxyphenyl)-2-methylquinazoline
• IUPAC Traditional name: 4-(2,3-dimethoxyphenyl)-2-methylquinazoline
• Synonyms: 4-(2,3-dimethoxyphenyl)-2-methylquinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5943174
• LogD (pH = 7.4): 3.5946014
• Log P: 3.594605
• Molar Refractivity: 81.1155 cm^3
• Polarizability: 33.886578 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.34
• LOG S: -3.24
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3