5-[1-(furan-2-ylmethyl)-1H-imidazol-2-yl]-6-methylquinoline

• ChemBase ID: 721310
• Molecular Formular: C18H15N3O
• Molecular Mass: 289.3312
• Monoisotopic Mass: 289.12151212
• SMILES: c1(n(Cc2occc2)ccn1)c1c2c(nccc2)ccc1C
• Canonical SMILES: Cc1ccc2c(c1c1nccn1Cc1ccco1)cccn2
• InChI: InChI=1S/C18H15N3O/c1-13-6-7-16-15(5-2-8-19-16)17(13)18-20-9-10-21(18)12-14-4-3-11-22-14/h2-11H,12H2,1H3
• InChIKey: ZBFWIICUVOGOAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(furan-2-ylmethyl)-1H-imidazol-2-yl]-6-methylquinoline
• IUPAC Traditional name: 5-[1-(furan-2-ylmethyl)imidazol-2-yl]-6-methylquinoline
• Synonyms: 5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-6-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.029658
• LogD (pH = 7.4): 3.543972
• Log P: 3.559018
• Molar Refractivity: 94.9771 cm^3
• Polarizability: 34.05746 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.76
• LOG S: -3.67
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 3