N-[2-(1H-indol-1-yl)ethyl]-N-methylquinoxaline-5-carboxamide

• ChemBase ID: 502473
• Molecular Formular: C20H18N4O
• Molecular Mass: 330.38312
• Monoisotopic Mass: 330.14806122
• SMILES: c1(C(=O)N(CCn2ccc3c2cccc3)C)c2nccnc2ccc1
• Canonical SMILES: CN(C(=O)c1cccc2c1nccn2)CCn1ccc2c1cccc2
• InChI: InChI=1S/C20H18N4O/c1-23(13-14-24-12-9-15-5-2-3-8-18(15)24)20(25)16-6-4-7-17-19(16)22-11-10-21-17/h2-12H,13-14H2,1H3
• InChIKey: QDPROVYDIAWMER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-1-yl)ethyl]-N-methylquinoxaline-5-carboxamide
• IUPAC Traditional name: N-[2-(indol-1-yl)ethyl]-N-methylquinoxaline-5-carboxamide
• Synonyms: N-[2-(1H-indol-1-yl)ethyl]-N-methylquinoxaline-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.721226
• LogD (pH = 7.4): 2.7212298
• Log P: 2.7212298
• Molar Refractivity: 96.3944 cm^3
• Polarizability: 39.282925 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: 1.23
• LOG S: -3.77
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4