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

C16H11F2N3O2 — CID 4687081

IUPAC5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2cccc(OC(F)F)c2)c2cccnc12
InChIInChI=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+
InChIKeyAFGPFTJDBKNBCF-QZQOTICOSA-N
MW315.28 g/mol
LogP4.96
Rot. Bonds4

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 Name5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol
PubChem CID4687081
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name5-[[3-(difluoromethoxy)phenyl]diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2cccc(OC(F)F)c2)c2cccnc12
InChIInChI=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+
InChIKeyAFGPFTJDBKNBCF-QZQOTICOSA-N
XLogP4.96
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).