N-methyl-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)-N-(oxan-2-ylmethyl)acetamide

• ChemBase ID: 725398
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CC(=O)N(CC1OCCCC1)C
• Canonical SMILES: O=C(N(CC1CCCCO1)C)Cn1c(=O)c(C)nc2c1cccc2
• InChI: InChI=1S/C18H23N3O3/c1-13-18(23)21(16-9-4-3-8-15(16)19-13)12-17(22)20(2)11-14-7-5-6-10-24-14/h3-4,8-9,14H,5-7,10-12H2,1-2H3
• InChIKey: RQJULBOFRSWCPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)-N-(oxan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-2-(3-methyl-2-oxoquinoxalin-1-yl)-N-(oxan-2-ylmethyl)acetamide
• Synonyms: N-methyl-2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.275627
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0745559
• LogD (pH = 7.4): 1.0745716
• Log P: 1.0745718
• Molar Refractivity: 92.6264 cm^3
• Polarizability: 34.788338 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.22
• LOG S: -3.1
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 4