6-ethyl-2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]quinoline-4-carboxamide

• ChemBase ID: 468952
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: c1(c2c(nc(c1)C)ccc(c2)CC)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: CCc1ccc2c(c1)c(cc(n2)C)C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C23H26N4O/c1-4-16-5-6-22-19(10-16)20(9-14(2)27-22)23(28)26-13-21-15(3)25-12-17-11-24-8-7-18(17)21/h5-6,9-10,12,24H,4,7-8,11,13H2,1-3H3,(H,26,28)
• InChIKey: DIOUPXNZXWDOIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]quinoline-4-carboxamide
• IUPAC Traditional name: 6-ethyl-2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]quinoline-4-carboxamide
• Synonyms: 6-ethyl-2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.266616
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5032521
• LogD (pH = 7.4): 1.0343162
• Log P: 2.5309854
• Molar Refractivity: 111.7929 cm^3
• Polarizability: 43.71501 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.65
• LOG S: -2.89
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 4