N-ethyl-N-(4-hydroxybutyl)quinoxaline-5-carboxamide

• ChemBase ID: 317055
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: c1(C(=O)N(CC)CCCCO)c2nccnc2ccc1
• Canonical SMILES: OCCCCN(C(=O)c1cccc2c1nccn2)CC
• InChI: InChI=1S/C15H19N3O2/c1-2-18(10-3-4-11-19)15(20)12-6-5-7-13-14(12)17-9-8-16-13/h5-9,19H,2-4,10-11H2,1H3
• InChIKey: HVISWDPWUHBEPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(4-hydroxybutyl)quinoxaline-5-carboxamide
• IUPAC Traditional name: N-ethyl-N-(4-hydroxybutyl)quinoxaline-5-carboxamide
• Synonyms: N-ethyl-N-(4-hydroxybutyl)quinoxaline-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.972544
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.84109545
• LogD (pH = 7.4): 0.8410991
• Log P: 0.84109914
• Molar Refractivity: 76.8731 cm^3
• Polarizability: 30.560518 Å^3
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.83
• LOG S: -1.79
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 6