8-[2-(1-ethylpiperidin-3-yl)-1H-imidazol-1-yl]quinoline

• ChemBase ID: 703734
• Molecular Formular: C19H22N4
• Molecular Mass: 306.40478
• Monoisotopic Mass: 306.18444672
• SMILES: n1(c(C2CN(CCC2)CC)ncc1)c1c2ncccc2ccc1
• Canonical SMILES: CCN1CCCC(C1)c1nccn1c1cccc2c1nccc2
• InChI: InChI=1S/C19H22N4/c1-2-22-12-5-8-16(14-22)19-21-11-13-23(19)17-9-3-6-15-7-4-10-20-18(15)17/h3-4,6-7,9-11,13,16H,2,5,8,12,14H2,1H3
• InChIKey: UUZVCODMUUYFEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(1-ethylpiperidin-3-yl)-1H-imidazol-1-yl]quinoline
• IUPAC Traditional name: 8-[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]quinoline
• Synonyms: 8-[2-(1-ethylpiperidin-3-yl)-1H-imidazol-1-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.51853925
• LogD (pH = 7.4): 1.3017216
• Log P: 3.016471
• Molar Refractivity: 102.6893 cm^3
• Polarizability: 37.740932 Å^3
• Polar Surface Area: 33.95 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: 3.27
• LOG S: -3.22
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 3