N-[2-(1H-indol-3-yl)ethyl]-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetamide

• ChemBase ID: 225960
• Molecular Formular: C21H20N4O2
• Molecular Mass: 360.4091
• Monoisotopic Mass: 360.1586259
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cn1c(=O)c(C)nc2c1cccc2)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C21H20N4O2/c1-14-21(27)25(19-9-5-4-8-18(19)24-14)13-20(26)22-11-10-15-12-23-17-7-3-2-6-16(15)17/h2-9,12,23H,10-11,13H2,1H3,(H,22,26)
• InChIKey: BRPFNKUQULCZKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

Database IDs

• PubChem SID: 164281870
• PubChem CID: 50768077

CALCULATED PROPERTIES

• Acid pKa: 15.03489
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0996184
• LogD (pH = 7.4): 2.0996342
• Log P: 2.0996344
• Molar Refractivity: 105.3281 cm^3
• Polarizability: 40.400566 Å^3
• Polar Surface Area: 77.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds