4-(2-methylquinolin-4-yl)-N-[2-(pyridin-4-yl)ethyl]morpholine-2-carboxamide

• ChemBase ID: 346888
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: N1(c2c3c(nc(c2)C)cccc3)CC(C(=O)NCCc2ccncc2)OCC1
• Canonical SMILES: O=C(C1OCCN(C1)c1cc(C)nc2c1cccc2)NCCc1ccncc1
• InChI: InChI=1S/C22H24N4O2/c1-16-14-20(18-4-2-3-5-19(18)25-16)26-12-13-28-21(15-26)22(27)24-11-8-17-6-9-23-10-7-17/h2-7,9-10,14,21H,8,11-13,15H2,1H3,(H,24,27)
• InChIKey: JPTDFGFUEXLSCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylquinolin-4-yl)-N-[2-(pyridin-4-yl)ethyl]morpholine-2-carboxamide
• IUPAC Traditional name: 4-(2-methylquinolin-4-yl)-N-[2-(pyridin-4-yl)ethyl]morpholine-2-carboxamide
• Synonyms: 4-(2-methyl-4-quinolinyl)-N-[2-(4-pyridinyl)ethyl]-2-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.026543
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.14853299
• LogD (pH = 7.4): 0.87570256
• Log P: 2.0539489
• Molar Refractivity: 107.8334 cm^3
• Polarizability: 42.601116 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.58
• LOG S: -1.99
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5