5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid

C16H11N3O2S — CID 154364142

IUPAC5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(/N=N/c3ccccc3)ccc(S)c2n1
InChIInChI=1S/C16H11N3O2S/c20-16(21)13-7-6-11-12(8-9-14(22)15(11)17-13)19-18-10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-18+
InChIKeyWRYDLIOMIBNCSG-VHEBQXMUSA-N
MW309.35 g/mol
LogP4.64
Rot. Bonds3

About 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid

5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid (PubChem CID 154364142) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid
PubChem CID154364142
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(/N=N/c3ccccc3)ccc(S)c2n1
InChIInChI=1S/C16H11N3O2S/c20-16(21)13-7-6-11-12(8-9-14(22)15(11)17-13)19-18-10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-18+
InChIKeyWRYDLIOMIBNCSG-VHEBQXMUSA-N
XLogP4.64
TPSA74.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.64
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid
CID 146960262
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
4-[(2-sulfanylphenyl)diazenyl]benzoic acid
CID 175186091
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750
6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 134844060
(8-methylquinolin-5-yl)-phenyldiazene
CID 58482903
CID 91986542
CID 91986542
diphenyldiazene;urea
CID 175083568
phenyl-(1-phenyldiazenylnaphthalen-2-yl)diazene
CID 22616925
2-carboxyquinolin-8-olate
CID 54696394
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155

Frequently Asked Questions

What is the IUPAC name of 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid?
The IUPAC name of 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid (CID 154364142) is 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid.
What is the SMILES notation for 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid?
The canonical SMILES for 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid is O=C(O)c1ccc2c(/N=N/c3ccccc3)ccc(S)c2n1.
What is the InChIKey of 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid?
The InChIKey is WRYDLIOMIBNCSG-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11N3O2S/c20-16(21)13-7-6-11-12(8-9-14(22)15(11)17-13)19-18-10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-18+.
What are the key properties of 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid?
5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid is sourced from PubChem (CID 154364142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).