6-ethyl-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

• ChemBase ID: 863300
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(C(=O)N(Cc2ncccc2)CCOC)c2c(nc(c1)C)ccc(c2)CC
• Canonical SMILES: COCCN(C(=O)c1cc(C)nc2c1cc(CC)cc2)Cc1ccccn1
• InChI: InChI=1S/C22H25N3O2/c1-4-17-8-9-21-19(14-17)20(13-16(2)24-21)22(26)25(11-12-27-3)15-18-7-5-6-10-23-18/h5-10,13-14H,4,11-12,15H2,1-3H3
• InChIKey: SHGGJWSQMKPNOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
• IUPAC Traditional name: 6-ethyl-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
• Synonyms: 6-ethyl-N-(2-methoxyethyl)-2-methyl-N-(2-pyridinylmethyl)-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0370648
• LogD (pH = 7.4): 3.0592618
• Log P: 3.0595503
• Molar Refractivity: 106.0618 cm^3
• Polarizability: 41.91526 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.29
• LOG S: -2.51
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7