3-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1,6-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 866172
• Molecular Formular: C23H24N2O4
• Molecular Mass: 392.44766
• Monoisotopic Mass: 392.17360726
• SMILES: c1(c(=O)n(c(cc1)C)C)C(=O)N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1ccc(n(c1=O)C)C
• InChI: InChI=1S/C23H24N2O4/c1-15-4-9-20(22(26)24(15)2)23(27)25-10-11-29-21(14-25)18-6-5-17-13-19(28-3)8-7-16(17)12-18/h4-9,12-13,21H,10-11,14H2,1-3H3
• InChIKey: QYYUIXLTBRROEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1,6-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
• Synonyms: 3-{[2-(6-methoxy-2-naphthyl)morpholin-4-yl]carbonyl}-1,6-dimethylpyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0678082
• LogD (pH = 7.4): 2.0678084
• Log P: 2.0678086
• Molar Refractivity: 112.7217 cm^3
• Polarizability: 43.607433 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.12
• LOG S: -3.87
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 3