6-methoxy-2-oxo-N-[2-(pyridin-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 770567
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c12C(C(=O)NCCc3cnccc3)CC(=O)Nc1ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)NCCc1cccnc1
• InChI: InChI=1S/C18H19N3O3/c1-24-13-4-5-16-14(9-13)15(10-17(22)21-16)18(23)20-8-6-12-3-2-7-19-11-12/h2-5,7,9,11,15H,6,8,10H2,1H3,(H,20,23)(H,21,22)
• InChIKey: SGNIRIKHCSKSNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-oxo-N-[2-(pyridin-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-2-oxo-N-[2-(pyridin-3-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-2-oxo-N-[2-(3-pyridinyl)ethyl]-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.161118
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7029959
• LogD (pH = 7.4): 0.79258186
• Log P: 0.79388744
• Molar Refractivity: 90.8186 cm^3
• Polarizability: 34.270985 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.35
• LOG S: -1.88
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5