dimethyl(2-{2-[1-(quinoline-3-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine

• ChemBase ID: 724791
• Molecular Formular: C22H27N5O
• Molecular Mass: 377.48268
• Monoisotopic Mass: 377.22156051
• SMILES: c1(C2CN(C(=O)c3cc4c(nc3)cccc4)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: CN(CCn1ccnc1C1CCCN(C1)C(=O)c1cnc2c(c1)cccc2)C
• InChI: InChI=1S/C22H27N5O/c1-25(2)12-13-26-11-9-23-21(26)18-7-5-10-27(16-18)22(28)19-14-17-6-3-4-8-20(17)24-15-19/h3-4,6,8-9,11,14-15,18H,5,7,10,12-13,16H2,1-2H3
• InChIKey: UOFKKFJLBNIIFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{2-[1-(quinoline-3-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{2-[1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{2-[1-(quinolin-3-ylcarbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3847125
• LogD (pH = 7.4): 0.57209176
• Log P: 2.1014178
• Molar Refractivity: 110.8046 cm^3
• Polarizability: 43.4915 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.34
• LOG S: -3.1
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 5