5-[1-(3-methoxypropyl)-1H-imidazol-2-yl]-8-methylquinoline

• ChemBase ID: 864321
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: c1(c2c3c(nccc3)c(cc2)C)n(ccn1)CCCOC
• Canonical SMILES: COCCCn1ccnc1c1ccc(c2c1cccn2)C
• InChI: InChI=1S/C17H19N3O/c1-13-6-7-15(14-5-3-8-18-16(13)14)17-19-9-11-20(17)10-4-12-21-2/h3,5-9,11H,4,10,12H2,1-2H3
• InChIKey: BURLEZUELNUNOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(3-methoxypropyl)-1H-imidazol-2-yl]-8-methylquinoline
• IUPAC Traditional name: 5-[1-(3-methoxypropyl)imidazol-2-yl]-8-methylquinoline
• Synonyms: 5-[1-(3-methoxypropyl)-1H-imidazol-2-yl]-8-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2189867
• LogD (pH = 7.4): 2.769317
• Log P: 2.7872825
• Molar Refractivity: 93.8825 cm^3
• Polarizability: 33.82344 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.05
• LOG S: -3.0
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 5