N,N-dimethyl-4-{[2-(quinolin-2-yl)-1H-imidazol-1-yl]methyl}oxan-4-amine

• ChemBase ID: 507249
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: n1(c(c2nc3c(cc2)cccc3)ncc1)CC1(N(C)C)CCOCC1
• Canonical SMILES: CN(C1(CCOCC1)Cn1ccnc1c1ccc2c(n1)cccc2)C
• InChI: InChI=1S/C20H24N4O/c1-23(2)20(9-13-25-14-10-20)15-24-12-11-21-19(24)18-8-7-16-5-3-4-6-17(16)22-18/h3-8,11-12H,9-10,13-15H2,1-2H3
• InChIKey: FAFYIJHDRPENKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-{[2-(quinolin-2-yl)-1H-imidazol-1-yl]methyl}oxan-4-amine
• IUPAC Traditional name: N,N-dimethyl-4-{[2-(quinolin-2-yl)imidazol-1-yl]methyl}oxan-4-amine
• Synonyms: N,N-dimethyl-4-[(2-quinolin-2-yl-1H-imidazol-1-yl)methyl]tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8912214
• LogD (pH = 7.4): 0.16324084
• Log P: 2.5503263
• Molar Refractivity: 108.9446 cm^3
• Polarizability: 40.228394 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.07
• LOG S: -2.41
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 4