5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol

C17H15N3O2 — CID 2831983

IUPAC5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol
SMILESCOc1ccc(C)cc1/N=N/c1ccc(O)c2ncccc12
InChIInChI=1S/C17H15N3O2/c1-11-5-8-16(22-2)14(10-11)20-19-13-6-7-15(21)17-12(13)4-3-9-18-17/h3-10,21H,1-2H3/b20-19+
InChIKeyCLRFQYDSYIRYQC-FMQUCBEESA-N
MW293.33 g/mol
LogP4.67
Rot. Bonds3

About 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol

5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol (PubChem CID 2831983) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol
PubChem CID2831983
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol
SMILESCOc1ccc(C)cc1/N=N/c1ccc(O)c2ncccc12
InChIInChI=1S/C17H15N3O2/c1-11-5-8-16(22-2)14(10-11)20-19-13-6-7-15(21)17-12(13)4-3-9-18-17/h3-10,21H,1-2H3/b20-19+
InChIKeyCLRFQYDSYIRYQC-FMQUCBEESA-N
XLogP4.67
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.67
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-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
The IUPAC name of 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol (CID 2831983) is 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol is COc1ccc(C)cc1/N=N/c1ccc(O)c2ncccc12.
What is the InChIKey of 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
The InChIKey is CLRFQYDSYIRYQC-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-5-8-16(22-2)14(10-11)20-19-13-6-7-15(21)17-12(13)4-3-9-18-17/h3-10,21H,1-2H3/b20-19+.
What are the key properties of 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol has a molecular weight of 293.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 2831983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).