N,2,3-trimethyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]quinoxaline-6-carboxamide

• ChemBase ID: 384883
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: n1(c(cc2c1cccc2)C)CCN(C(=O)c1cc2nc(c(nc2cc1)C)C)C
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)nc(c(n2)C)C)CCn1c(C)cc2c1cccc2
• InChI: InChI=1S/C23H24N4O/c1-15-13-18-7-5-6-8-22(18)27(15)12-11-26(4)23(28)19-9-10-20-21(14-19)25-17(3)16(2)24-20/h5-10,13-14H,11-12H2,1-4H3
• InChIKey: LKIAWRHADRHCJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,3-trimethyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]quinoxaline-6-carboxamide
• IUPAC Traditional name: N,2,3-trimethyl-N-[2-(2-methylindol-1-yl)ethyl]quinoxaline-6-carboxamide
• Synonyms: N,2,3-trimethyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1834555
• LogD (pH = 7.4): 3.1835303
• Log P: 3.1835313
• Molar Refractivity: 110.7271 cm^3
• Polarizability: 44.571583 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.42
• LOG S: -5.95
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4