6,7-dimethoxy-2-[3-(pyridin-3-yl)propyl]quinazolin-4-amine

• ChemBase ID: 677045
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c12c(nc(nc1cc(c(c2)OC)OC)CCCc1cnccc1)N
• Canonical SMILES: COc1cc2nc(CCCc3cccnc3)nc(c2cc1OC)N
• InChI: InChI=1S/C18H20N4O2/c1-23-15-9-13-14(10-16(15)24-2)21-17(22-18(13)19)7-3-5-12-6-4-8-20-11-12/h4,6,8-11H,3,5,7H2,1-2H3,(H2,19,21,22)
• InChIKey: CRAIGYHURIGCCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-[3-(pyridin-3-yl)propyl]quinazolin-4-amine
• IUPAC Traditional name: 6,7-dimethoxy-2-[3-(pyridin-3-yl)propyl]quinazolin-4-amine
• Synonyms: 6,7-dimethoxy-2-(3-pyridin-3-ylpropyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6089455
• LogD (pH = 7.4): 2.7638028
• Log P: 2.8090284
• Molar Refractivity: 93.1322 cm^3
• Polarizability: 36.28296 Å^3
• Polar Surface Area: 83.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.04
• LOG S: -2.01
• Polar Surface Area: 83.15 Å^2
• Rotatable Bonds: 6