6-methoxy-8-[2-(1-propyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]quinoline

• ChemBase ID: 693834
• Molecular Formular: C19H19N5O
• Molecular Mass: 333.38706
• Monoisotopic Mass: 333.15896025
• SMILES: c1(n(c2c3c(cc(c2)OC)cccn3)ccn1)c1n(ccn1)CCC
• Canonical SMILES: CCCn1ccnc1c1nccn1c1cc(OC)cc2c1nccc2
• InChI: InChI=1S/C19H19N5O/c1-3-9-23-10-7-21-18(23)19-22-8-11-24(19)16-13-15(25-2)12-14-5-4-6-20-17(14)16/h4-8,10-13H,3,9H2,1-2H3
• InChIKey: HBOUHVSHVSGKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-8-[2-(1-propyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]quinoline
• IUPAC Traditional name: 6-methoxy-8-[2-(1-propylimidazol-2-yl)imidazol-1-yl]quinoline
• Synonyms: 6-methoxy-8-(1'-propyl-1H,1'H-2,2'-biimidazol-1-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.028735
• LogD (pH = 7.4): 3.1219146
• Log P: 3.1232452
• Molar Refractivity: 126.582 cm^3
• Polarizability: 38.4275 Å^3
• Polar Surface Area: 57.76 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: 3.9
• LOG S: -4.96
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 5