5-[2-(4-chlorophenyl)morpholine-4-carbonyl]quinoxaline

• ChemBase ID: 748242
• Molecular Formular: C19H16ClN3O2
• Molecular Mass: 353.80224
• Monoisotopic Mass: 353.09310445
• SMILES: C(=O)(c1c2nccnc2ccc1)N1CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)c1cccc2c1nccn2
• InChI: InChI=1S/C19H16ClN3O2/c20-14-6-4-13(5-7-14)17-12-23(10-11-25-17)19(24)15-2-1-3-16-18(15)22-9-8-21-16/h1-9,17H,10-12H2
• InChIKey: JIXYSJBQTFVZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(4-chlorophenyl)morpholine-4-carbonyl]quinoxaline
• IUPAC Traditional name: 5-[2-(4-chlorophenyl)morpholine-4-carbonyl]quinoxaline
• Synonyms: 5-{[2-(4-chlorophenyl)morpholin-4-yl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7668517
• LogD (pH = 7.4): 2.7668552
• Log P: 2.7668552
• Molar Refractivity: 94.4843 cm^3
• Polarizability: 37.671516 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.86
• LOG S: -2.51
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2