1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-methyl-1,2-dihydroquinoxalin-2-one

• ChemBase ID: 704088
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: n1(c(=O)c(nc2c1cccc2)C)Cc1n(cnc1)CCOC
• Canonical SMILES: COCCn1cncc1Cn1c(=O)c(C)nc2c1cccc2
• InChI: InChI=1S/C16H18N4O2/c1-12-16(21)20(15-6-4-3-5-14(15)18-12)10-13-9-17-11-19(13)7-8-22-2/h3-6,9,11H,7-8,10H2,1-2H3
• InChIKey: HNQKAGFJXPCZPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3250224
• LogD (pH = 7.4): 0.7646901
• Log P: 0.7957261
• Molar Refractivity: 85.4556 cm^3
• Polarizability: 31.419376 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: -0.37
• LOG S: -2.37
• Polar Surface Area: 61.94 Å^2
• Rotatable Bonds: 5