4-{1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl}quinoline

• ChemBase ID: 500922
• Molecular Formular: C23H23N5
• Molecular Mass: 369.46222
• Monoisotopic Mass: 369.19534576
• SMILES: c1(n(C2CCN(Cc3cnccc3)CC2)ccn1)c1c2c(ncc1)cccc2
• Canonical SMILES: c1ccc(cn1)CN1CCC(CC1)n1ccnc1c1ccnc2c1cccc2
• InChI: InChI=1S/C23H23N5/c1-2-6-22-20(5-1)21(7-11-25-22)23-26-12-15-28(23)19-8-13-27(14-9-19)17-18-4-3-10-24-16-18/h1-7,10-12,15-16,19H,8-9,13-14,17H2
• InChIKey: DTUHNKNIBOUAHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl}quinoline
• IUPAC Traditional name: 4-{1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]imidazol-2-yl}quinoline
• Synonyms: 4-{1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.46204025
• LogD (pH = 7.4): 1.6479799
• Log P: 2.7944837
• Molar Refractivity: 120.8392 cm^3
• Polarizability: 44.57983 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.13
• LOG S: -1.41
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4