2-phenyl-4-[3-(pyridin-4-yl)azetidin-1-yl]quinazoline

• ChemBase ID: 465804
• Molecular Formular: C22H18N4
• Molecular Mass: 338.40512
• Monoisotopic Mass: 338.1531466
• SMILES: c1(nc(nc2c1cccc2)c1ccccc1)N1CC(C1)c1ccncc1
• Canonical SMILES: c1ccc(cc1)c1nc2ccccc2c(n1)N1CC(C1)c1ccncc1
• InChI: InChI=1S/C22H18N4/c1-2-6-17(7-3-1)21-24-20-9-5-4-8-19(20)22(25-21)26-14-18(15-26)16-10-12-23-13-11-16/h1-13,18H,14-15H2
• InChIKey: ZCBTZXGHQRREMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-4-[3-(pyridin-4-yl)azetidin-1-yl]quinazoline
• IUPAC Traditional name: 2-phenyl-4-[3-(pyridin-4-yl)azetidin-1-yl]quinazoline
• Synonyms: 2-phenyl-4-[3-(4-pyridinyl)-1-azetidinyl]quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6288614
• LogD (pH = 7.4): 4.9146743
• Log P: 4.9192576
• Molar Refractivity: 114.2046 cm^3
• Polarizability: 40.977615 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.02
• LOG S: -2.95
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 3