4-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-6,8-dimethylquinoline

• ChemBase ID: 747870
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: c12c(N3CCC(c4n(ccn4)CCOC)CC3)ccnc1c(cc(c2)C)C
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)c1ccnc2c1cc(C)cc2C
• InChI: InChI=1S/C22H28N4O/c1-16-14-17(2)21-19(15-16)20(4-7-23-21)25-9-5-18(6-10-25)22-24-8-11-26(22)12-13-27-3/h4,7-8,11,14-15,18H,5-6,9-10,12-13H2,1-3H3
• InChIKey: UNKNRHKTGJAUIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-6,8-dimethylquinoline
• IUPAC Traditional name: 4-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}-6,8-dimethylquinoline
• Synonyms: 4-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-6,8-dimethylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4414874
• LogD (pH = 7.4): 2.828039
• Log P: 3.7167845
• Molar Refractivity: 109.6222 cm^3
• Polarizability: 42.569958 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.2
• LOG S: -4.59
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5