2,3-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]quinoxaline-6-carboxamide

• ChemBase ID: 363374
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: n1c2c(nc(c1C)C)ccc(C(=O)NCCN1c3c(CCC1)cccc3)c2
• Canonical SMILES: O=C(c1ccc2c(c1)nc(c(n2)C)C)NCCN1CCCc2c1cccc2
• InChI: InChI=1S/C22H24N4O/c1-15-16(2)25-20-14-18(9-10-19(20)24-15)22(27)23-11-13-26-12-5-7-17-6-3-4-8-21(17)26/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,27)
• InChIKey: UMNLAOPUIDYXES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]quinoxaline-6-carboxamide
• IUPAC Traditional name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
• Synonyms: N-[2-(3,4-dihydro-1(2H)-quinolinyl)ethyl]-2,3-dimethyl-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.796319
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.983488
• LogD (pH = 7.4): 3.0297344
• Log P: 3.030357
• Molar Refractivity: 107.0367 cm^3
• Polarizability: 41.571114 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.39
• LOG S: -4.72
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4