6-ethoxy-2-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]quinoline

• ChemBase ID: 749372
• Molecular Formular: C20H18N4O
• Molecular Mass: 330.38312
• Monoisotopic Mass: 330.14806122
• SMILES: c1(n(ccn1)Cc1ncccc1)c1nc2c(cc(cc2)OCC)cc1
• Canonical SMILES: CCOc1ccc2c(c1)ccc(n2)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C20H18N4O/c1-2-25-17-7-9-18-15(13-17)6-8-19(23-18)20-22-11-12-24(20)14-16-5-3-4-10-21-16/h3-13H,2,14H2,1H3
• InChIKey: USWVDNAAYGQTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-2-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]quinoline
• IUPAC Traditional name: 6-ethoxy-2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]quinoline
• Synonyms: 6-ethoxy-2-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3308992
• LogD (pH = 7.4): 3.432663
• Log P: 3.4341364
• Molar Refractivity: 105.7057 cm^3
• Polarizability: 38.898453 Å^3
• Polar Surface Area: 52.83 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: 2.68
• LOG S: -2.6
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 5