5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol

C₁₆H₁₁F₂N₃O₂ — CID 4687081

About 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol

5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol (PubChem CID 4687081) has the molecular formula C₁₆H₁₁F₂N₃O₂ and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol
• PubChem CID: 4687081
• Molecular Formula: C₁₆H₁₁F₂N₃O₂
• Molecular Weight: 315.28 g/mol
• Exact Mass: 315.08
• IUPAC Name: 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol
• SMILES: Oc1ccc(/N=N/c2cccc(OC(F)F)c2)c2cccnc12
• InChI: InChI=1S/C16H11F2N3O2/c17-16(18)23-11-4-1-3-10(9-11)20-21-13-6-7-14(22)15-12(13)5-2-8-19-15/h1-9,16,22H/b21-20+
• InChIKey: AFGPFTJDBKNBCF-QZQOTICOSA-N
• XLogP: 4.96
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.28
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol?

The IUPAC name of 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol (CID 4687081) is 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol.

What is the SMILES notation for 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol?

The canonical SMILES for 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol is Oc1ccc(/N=N/c2cccc(OC(F)F)c2)c2cccnc12.

What is the InChIKey of 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol?

The InChIKey is AFGPFTJDBKNBCF-QZQOTICOSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-16(18)23-11-4-1-3-10(9-11)20-21-13-6-7-14(22)15-12(13)5-2-8-19-15/h1-9,16,22H/b21-20+.

What are the key properties of 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol?

5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol has a molecular weight of 315.28 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol is sourced from PubChem (CID 4687081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4687081 — identifiers, structure, computed properties (public domain)

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