1-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1,2-dihydroquinoxalin-2-one

• ChemBase ID: 850418
• Molecular Formular: C18H18N2O3
• Molecular Mass: 310.34712
• Monoisotopic Mass: 310.13174245
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CCOc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCCn1c(=O)c(C)nc2c1cccc2
• InChI: InChI=1S/C18H18N2O3/c1-13-18(21)20(17-6-4-3-5-16(17)19-13)11-12-23-15-9-7-14(22-2)8-10-15/h3-10H,11-12H2,1-2H3
• InChIKey: ZBINLTFCLCZWBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1,2-dihydroquinoxalin-2-one
• IUPAC Traditional name: 1-[2-(4-methoxyphenoxy)ethyl]-3-methylquinoxalin-2-one
• Synonyms: 1-[2-(4-methoxyphenoxy)ethyl]-3-methylquinoxalin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5793831
• LogD (pH = 7.4): 2.5793996
• Log P: 2.5793996
• Molar Refractivity: 89.0859 cm^3
• Polarizability: 33.49681 Å^3
• Polar Surface Area: 51.13 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: 2.36
• LOG S: -3.48
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 5