2-methoxy-4-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoline

• ChemBase ID: 627563
• Molecular Formular: C22H26N4O3
• Molecular Mass: 394.46684
• Monoisotopic Mass: 394.20049071
• SMILES: C(=O)(c1c2c(nc(c1)OC)cccc2)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cc(OC)nc2c1cccc2
• InChI: InChI=1S/C22H26N4O3/c1-28-13-12-25-11-9-23-21(25)16-6-5-10-26(15-16)22(27)18-14-20(29-2)24-19-8-4-3-7-17(18)19/h3-4,7-9,11,14,16H,5-6,10,12-13,15H2,1-2H3
• InChIKey: HTELHNQDYHEXIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoline
• IUPAC Traditional name: 2-methoxy-4-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}quinoline
• Synonyms: 2-methoxy-4-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)quinoline

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Molar Refractivity: 110.6057 cm^3
• Polarizability: 43.319275 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8139739
• LogD (pH = 7.4): 2.4447632
• Log P: 2.472584

供应商提供(Chembridge)

• Log P: 1.85
• LOG S: -3.66
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0