6-chloro-2-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}quinoline

• ChemBase ID: 443663
• Molecular Formular: C18H14ClN5
• Molecular Mass: 335.79026
• Monoisotopic Mass: 335.09377315
• SMILES: c1(n(Cc2ncc(nc2)C)ccn1)c1nc2c(cc(cc2)Cl)cc1
• Canonical SMILES: Clc1ccc2c(c1)ccc(n2)c1nccn1Cc1cnc(cn1)C
• InChI: InChI=1S/C18H14ClN5/c1-12-9-22-15(10-21-12)11-24-7-6-20-18(24)17-4-2-13-8-14(19)3-5-16(13)23-17/h2-10H,11H2,1H3
• InChIKey: UGDPDJWXAYODBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}quinoline
• IUPAC Traditional name: 6-chloro-2-{1-[(5-methylpyrazin-2-yl)methyl]imidazol-2-yl}quinoline
• Synonyms: 6-chloro-2-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7508926
• LogD (pH = 7.4): 2.7527187
• Log P: 2.752742
• Molar Refractivity: 101.7333 cm^3
• Polarizability: 37.228302 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.16
• LOG S: -3.49
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3