5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol

C17H13N3O3 — CID 4007391

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccc3c(c2)OCCO3)c2cccnc12
InChIInChI=1S/C17H13N3O3/c21-14-5-4-13(12-2-1-7-18-17(12)14)20-19-11-3-6-15-16(10-11)23-9-8-22-15/h1-7,10,21H,8-9H2/b20-19+
InChIKeyXDRNYKAWKXMSIB-FMQUCBEESA-N
MW307.31 g/mol
LogP4.13
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol

5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol (PubChem CID 4007391) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol
PubChem CID4007391
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccc3c(c2)OCCO3)c2cccnc12
InChIInChI=1S/C17H13N3O3/c21-14-5-4-13(12-2-1-7-18-17(12)14)20-19-11-3-6-15-16(10-11)23-9-8-22-15/h1-7,10,21H,8-9H2/b20-19+
InChIKeyXDRNYKAWKXMSIB-FMQUCBEESA-N
XLogP4.13
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol (CID 4007391) is 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol is Oc1ccc(/N=N/c2ccc3c(c2)OCCO3)c2cccnc12.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol?
The InChIKey is XDRNYKAWKXMSIB-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13N3O3/c21-14-5-4-13(12-2-1-7-18-17(12)14)20-19-11-3-6-15-16(10-11)23-9-8-22-15/h1-7,10,21H,8-9H2/b20-19+.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol?
5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol has a molecular weight of 307.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)quinolin-8-ol is sourced from PubChem (CID 4007391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).