1-{2-[2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 703503
• Molecular Formular: C19H20N4
• Molecular Mass: 304.3889
• Monoisotopic Mass: 304.16879666
• SMILES: c1(n(ccn1)CCN1c2c(CCC1)cccc2)c1ccncc1
• Canonical SMILES: n1ccc(cc1)c1nccn1CCN1CCCc2c1cccc2
• InChI: InChI=1S/C19H20N4/c1-2-6-18-16(4-1)5-3-12-22(18)14-15-23-13-11-21-19(23)17-7-9-20-10-8-17/h1-2,4,6-11,13H,3,5,12,14-15H2
• InChIKey: XJGMOSHNAFAYAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 1-{2-[2-(pyridin-4-yl)imidazol-1-yl]ethyl}-3,4-dihydro-2H-quinoline
• Synonyms: 1-[2-(2-pyridin-4-yl-1H-imidazol-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6713898
• LogD (pH = 7.4): 3.2608166
• Log P: 3.2797716
• Molar Refractivity: 103.2824 cm^3
• Polarizability: 35.59626 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.72
• LOG S: -3.74
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4