5-[3-(3-methylphenoxy)azetidine-1-carbonyl]quinoxaline

• ChemBase ID: 547492
• Molecular Formular: C19H17N3O2
• Molecular Mass: 319.35718
• Monoisotopic Mass: 319.1320768
• SMILES: N1(C(=O)c2c3nccnc3ccc2)CC(C1)Oc1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)OC1CN(C1)C(=O)c1cccc2c1nccn2
• InChI: InChI=1S/C19H17N3O2/c1-13-4-2-5-14(10-13)24-15-11-22(12-15)19(23)16-6-3-7-17-18(16)21-9-8-20-17/h2-10,15H,11-12H2,1H3
• InChIKey: DMOYVGUPBMNWLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(3-methylphenoxy)azetidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 5-[3-(3-methylphenoxy)azetidine-1-carbonyl]quinoxaline
• Synonyms: 5-{[3-(3-methylphenoxy)-1-azetidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6427803
• LogD (pH = 7.4): 2.6427839
• Log P: 2.6427839
• Molar Refractivity: 89.6168 cm^3
• Polarizability: 35.73007 Å^3
• Polar Surface Area: 55.32 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: 0.5
• LOG S: -1.96
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3