7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol

C16H13N3O2 — CID 2125555

IUPAC7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol
SMILESCOc1cccc(/N=N/c2ccc3cccnc3c2O)c1
InChIInChI=1S/C16H13N3O2/c1-21-13-6-2-5-12(10-13)18-19-14-8-7-11-4-3-9-17-15(11)16(14)20/h2-10,20H,1H3/b19-18+
InChIKeyYEAKWKSISFROGX-VHEBQXMUSA-N
MW279.30 g/mol
LogP4.36
Rot. Bonds3

About 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol

7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol (PubChem CID 2125555) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol
PubChem CID2125555
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol
SMILESCOc1cccc(/N=N/c2ccc3cccnc3c2O)c1
InChIInChI=1S/C16H13N3O2/c1-21-13-6-2-5-12(10-13)18-19-14-8-7-11-4-3-9-17-15(11)16(14)20/h2-10,20H,1H3/b19-18+
InChIKeyYEAKWKSISFROGX-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 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol?
The IUPAC name of 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol (CID 2125555) is 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol is COc1cccc(/N=N/c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol?
The InChIKey is YEAKWKSISFROGX-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-13-6-2-5-12(10-13)18-19-14-8-7-11-4-3-9-17-15(11)16(14)20/h2-10,20H,1H3/b19-18+.
What are the key properties of 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol?
7-[(3-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 7-[(3-methoxyphenyl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 2125555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).