6-(2,6-dimethoxypyridin-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline

• ChemBase ID: 484546
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c12c(N3CCN(CC3)C)ncnc2ccc(c1)c1c(nc(cc1)OC)OC
• Canonical SMILES: COc1nc(OC)ccc1c1ccc2c(c1)c(ncn2)N1CCN(CC1)C
• InChI: InChI=1S/C20H23N5O2/c1-24-8-10-25(11-9-24)19-16-12-14(4-6-17(16)21-13-22-19)15-5-7-18(26-2)23-20(15)27-3/h4-7,12-13H,8-11H2,1-3H3
• InChIKey: MFDVCNADXGPROU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,6-dimethoxypyridin-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline
• IUPAC Traditional name: 6-(2,6-dimethoxypyridin-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline
• Synonyms: 6-(2,6-dimethoxypyridin-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.1759465
• LogD (pH = 7.4): 2.874083
• Log P: 3.277809
• Molar Refractivity: 106.1254 cm^3
• Polarizability: 42.310444 Å^3
• Polar Surface Area: 63.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.46
• LOG S: -2.96
• Polar Surface Area: 63.61 Å^2
• Rotatable Bonds: 4