1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dihydroquinoxalin-2-one

• ChemBase ID: 651768
• Molecular Formular: C15H16N4O2
• Molecular Mass: 284.31314
• Monoisotopic Mass: 284.12732577
• SMILES: n1(Cc2n(cnc2)CCOC)c(=O)cnc2c1cccc2
• Canonical SMILES: COCCn1cncc1Cn1c(=O)cnc2c1cccc2
• InChI: InChI=1S/C15H16N4O2/c1-21-7-6-18-11-16-8-12(18)10-19-14-5-3-2-4-13(14)17-9-15(19)20/h2-5,8-9,11H,6-7,10H2,1H3
• InChIKey: UKGVRPWKONEJEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dihydroquinoxalin-2-one
• IUPAC Traditional name: 1-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}quinoxalin-2-one
• Synonyms: 1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}quinoxalin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3576461
• LogD (pH = 7.4): 0.7973078
• Log P: 0.8283438
• Molar Refractivity: 80.9659 cm^3
• Polarizability: 29.582663 Å^3
• Polar Surface Area: 59.72 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: -0.06
• LOG S: -2.53
• Polar Surface Area: 61.94 Å^2
• Rotatable Bonds: 5