5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol

C17H15N3O — CID 135472791

IUPAC5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol
SMILESCc1ccc(C)c(/N=N/c2ccc(O)c3ncccc23)c1
InChIInChI=1S/C17H15N3O/c1-11-5-6-12(2)15(10-11)20-19-14-7-8-16(21)17-13(14)4-3-9-18-17/h3-10,21H,1-2H3/b20-19+
InChIKeyPYMYOBKUNQPXCW-FMQUCBEESA-N
MW277.33 g/mol
LogP4.97
Rot. Bonds2

About 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol

5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol (PubChem CID 135472791) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol
PubChem CID135472791
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol
SMILESCc1ccc(C)c(/N=N/c2ccc(O)c3ncccc23)c1
InChIInChI=1S/C17H15N3O/c1-11-5-6-12(2)15(10-11)20-19-14-7-8-16(21)17-13(14)4-3-9-18-17/h3-10,21H,1-2H3/b20-19+
InChIKeyPYMYOBKUNQPXCW-FMQUCBEESA-N
XLogP4.97
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol?
The IUPAC name of 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol (CID 135472791) is 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol is Cc1ccc(C)c(/N=N/c2ccc(O)c3ncccc23)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol?
The InChIKey is PYMYOBKUNQPXCW-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-5-6-12(2)15(10-11)20-19-14-7-8-16(21)17-13(14)4-3-9-18-17/h3-10,21H,1-2H3/b20-19+.
What are the key properties of 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol?
5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol has a molecular weight of 277.33 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 135472791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).