5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]quinoxaline

• ChemBase ID: 499916
• Molecular Formular: C21H22N4O2
• Molecular Mass: 362.42498
• Monoisotopic Mass: 362.17427596
• SMILES: c1(C(=O)N2CCN(c3c(OCC)cccc3)CC2)c2nccnc2ccc1
• Canonical SMILES: CCOc1ccccc1N1CCN(CC1)C(=O)c1cccc2c1nccn2
• InChI: InChI=1S/C21H22N4O2/c1-2-27-19-9-4-3-8-18(19)24-12-14-25(15-13-24)21(26)16-6-5-7-17-20(16)23-11-10-22-17/h3-11H,2,12-15H2,1H3
• InChIKey: CBCGTBZDNHFAKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]quinoxaline
• Synonyms: 5-{[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.534225
• LogD (pH = 7.4): 2.5344446
• Log P: 2.5344472
• Molar Refractivity: 104.0826 cm^3
• Polarizability: 40.629253 Å^3
• Polar Surface Area: 58.56 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: 0.5
• LOG S: -2.27
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4