4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid

C16H11N3O3 — CID 135829861

IUPAC4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2c(O)ccc3ncccc23)cc1
InChIInChI=1S/C16H11N3O3/c20-14-8-7-13-12(2-1-9-17-13)15(14)19-18-11-5-3-10(4-6-11)16(21)22/h1-9,20H,(H,21,22)/b19-18+
InChIKeyIWJNBSLDGVYCQZ-VHEBQXMUSA-N
MW293.28 g/mol
LogP4.05
Rot. Bonds3

About 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid

4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid (PubChem CID 135829861) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid
PubChem CID135829861
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2c(O)ccc3ncccc23)cc1
InChIInChI=1S/C16H11N3O3/c20-14-8-7-13-12(2-1-9-17-13)15(14)19-18-11-5-3-10(4-6-11)16(21)22/h1-9,20H,(H,21,22)/b19-18+
InChIKeyIWJNBSLDGVYCQZ-VHEBQXMUSA-N
XLogP4.05
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
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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Related Compounds

8-Quinolinol, benzoate (1:1)
CID 62626
5-(4-Methylphenylazo)-8-hydroxyquinoline
CID 208719
5-(Phenylazo)-8-hydroxyquinoline
CID 199506
4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid
CID 219564
(5E)-5-[[2-(trifluoromethyl)phenyl]hydrazinylidene]quinolin-8-one
CID 4057115
8-Hydroxyquinoline salicylate
CID 142766
3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-6-hydroxyquinoline
CID 10042634
3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-8-acetylquinoline
CID 10090040
3-Propanoyl-4-(2-methylphenylamino)-8-hydroxyquinoline
CID 10357805
1-(6-Hydroxy-4-o-tolylamino-quinolin-3-yl)-butan-1-one
CID 10426157
5-[(E)-(3,4-dimethylphenyl)diazenyl]quinolin-8-ol
CID 135472780
5-[(Z)-2-(2-methylphenyl)hydrazono]-8-quinolinone
CID 135517005

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid?
The IUPAC name of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid (CID 135829861) is 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid is O=C(O)c1ccc(/N=N/c2c(O)ccc3ncccc23)cc1.
What is the InChIKey of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid?
The InChIKey is IWJNBSLDGVYCQZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-14-8-7-13-12(2-1-9-17-13)15(14)19-18-11-5-3-10(4-6-11)16(21)22/h1-9,20H,(H,21,22)/b19-18+.
What are the key properties of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid?
4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid has a molecular weight of 293.28 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid is sourced from PubChem (CID 135829861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).