5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol

C16H13N3O2 — CID 3794954

IUPAC5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol
SMILESCOc1ccc(/N=N/c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-21-12-6-4-11(5-7-12)18-19-14-8-9-15(20)16-13(14)3-2-10-17-16/h2-10,20H,1H3/b19-18+
InChIKeyLEJMWBSDWKDHTF-VHEBQXMUSA-N
MW279.30 g/mol
LogP4.36
Rot. Bonds3

About 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol

5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol (PubChem CID 3794954) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol
PubChem CID3794954
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol
SMILESCOc1ccc(/N=N/c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-21-12-6-4-11(5-7-12)18-19-14-8-9-15(20)16-13(14)3-2-10-17-16/h2-10,20H,1H3/b19-18+
InChIKeyLEJMWBSDWKDHTF-VHEBQXMUSA-N
XLogP4.36
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.36
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-[(4-methoxyphenyl)diazenyl]quinolin-8-ol?
The IUPAC name of 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol (CID 3794954) is 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol is COc1ccc(/N=N/c2ccc(O)c3ncccc23)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol?
The InChIKey is LEJMWBSDWKDHTF-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-12-6-4-11(5-7-12)18-19-14-8-9-15(20)16-13(14)3-2-10-17-16/h2-10,20H,1H3/b19-18+.
What are the key properties of 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol?
5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol has a molecular weight of 279.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 3794954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).