7-chloro-4-[3-(pyridin-3-yl)azetidin-1-yl]quinoline

• ChemBase ID: 549122
• Molecular Formular: C17H14ClN3
• Molecular Mass: 295.76616
• Monoisotopic Mass: 295.08762514
• SMILES: N1(c2c3c(cc(cc3)Cl)ncc2)CC(C1)c1cnccc1
• Canonical SMILES: Clc1ccc2c(c1)nccc2N1CC(C1)c1cccnc1
• InChI: InChI=1S/C17H14ClN3/c18-14-3-4-15-16(8-14)20-7-5-17(15)21-10-13(11-21)12-2-1-6-19-9-12/h1-9,13H,10-11H2
• InChIKey: OBODELPFFPIWKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-4-[3-(pyridin-3-yl)azetidin-1-yl]quinoline
• IUPAC Traditional name: 7-chloro-4-[3-(pyridin-3-yl)azetidin-1-yl]quinoline
• Synonyms: 7-chloro-4-[3-(3-pyridinyl)-1-azetidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7306973
• LogD (pH = 7.4): 2.9280787
• Log P: 3.126879
• Molar Refractivity: 84.4636 cm^3
• Polarizability: 33.367447 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.03
• LOG S: -2.65
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2