4-[3-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)propoxy]benzamide

• ChemBase ID: 437529
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CCCOc1ccc(C(=O)N)cc1
• Canonical SMILES: NC(=O)c1ccc(cc1)OCCCn1c(=O)c(C)nc2c1cccc2
• InChI: InChI=1S/C19H19N3O3/c1-13-19(24)22(17-6-3-2-5-16(17)21-13)11-4-12-25-15-9-7-14(8-10-15)18(20)23/h2-3,5-10H,4,11-12H2,1H3,(H2,20,23)
• InChIKey: UHOAZSYISJDLRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)propoxy]benzamide
• IUPAC Traditional name: 4-[3-(3-methyl-2-oxoquinoxalin-1-yl)propoxy]benzamide
• Synonyms: 4-[3-(3-methyl-2-oxoquinoxalin-1(2H)-yl)propoxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.61918
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6476533
• LogD (pH = 7.4): 1.6476707
• Log P: 1.647671
• Molar Refractivity: 96.5665 cm^3
• Polarizability: 35.659943 Å^3
• Polar Surface Area: 84.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.4
• LOG S: -2.86
• Polar Surface Area: 87.21 Å^2
• Rotatable Bonds: 6