2-(4-chlorophenyl)-4-{imidazo[1,2-a]pyridine-6-carbonyl}morpholine

• ChemBase ID: 364724
• Molecular Formular: C18H16ClN3O2
• Molecular Mass: 341.79154
• Monoisotopic Mass: 341.09310445
• SMILES: c1(C(=O)N2CC(c3ccc(cc3)Cl)OCC2)cn2c(ncc2)cc1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C18H16ClN3O2/c19-15-4-1-13(2-5-15)16-12-22(9-10-24-16)18(23)14-3-6-17-20-7-8-21(17)11-14/h1-8,11,16H,9-10,12H2
• InChIKey: AJNKVPMGHBDANO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-{imidazo[1,2-a]pyridine-6-carbonyl}morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-{imidazo[1,2-a]pyridine-6-carbonyl}morpholine
• Synonyms: 6-{[2-(4-chlorophenyl)morpholin-4-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6005205
• LogD (pH = 7.4): 2.202972
• Log P: 2.2273262
• Molar Refractivity: 92.9703 cm^3
• Polarizability: 34.922478 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.73
• LOG S: -3.17
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2