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

• ChemBase ID: 500125
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CCCOc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OCCCn1c(=O)c(C)nc2c1cccc2
• InChI: InChI=1S/C19H20N2O3/c1-14-19(22)21(16-9-4-3-8-15(16)20-14)12-7-13-24-18-11-6-5-10-17(18)23-2/h3-6,8-11H,7,12-13H2,1-2H3
• InChIKey: VQGNQVSEOCWWEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6393425
• LogD (pH = 7.4): 2.6393592
• Log P: 2.6393595
• Molar Refractivity: 93.9513 cm^3
• Polarizability: 35.34022 Å^3
• Polar Surface Area: 51.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.55
• LOG S: -3.74
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 6