4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid

C16H14N4O3S — CID 141240071

IUPAC4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid
SMILESCc1ccc2c(/N=N/c3ccc(S(=O)(=O)O)cc3)ccc(N)c2n1
InChIInChI=1S/C16H14N4O3S/c1-10-2-7-13-15(9-8-14(17)16(13)18-10)20-19-11-3-5-12(6-4-11)24(21,22)23/h2-9H,17H2,1H3,(H,21,22,23)/b20-19+
InChIKeyYMMMTMKWGXAYLK-FMQUCBEESA-N
MW342.38 g/mol
LogP3.79
Rot. Bonds3

About 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid

4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid (PubChem CID 141240071) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid
PubChem CID141240071
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid
SMILESCc1ccc2c(/N=N/c3ccc(S(=O)(=O)O)cc3)ccc(N)c2n1
InChIInChI=1S/C16H14N4O3S/c1-10-2-7-13-15(9-8-14(17)16(13)18-10)20-19-11-3-5-12(6-4-11)24(21,22)23/h2-9H,17H2,1H3,(H,21,22,23)/b20-19+
InChIKeyYMMMTMKWGXAYLK-FMQUCBEESA-N
XLogP3.79
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-[(4-amino-7-methylsulfonylnaphthalen-1-yl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88888496
4-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 170961674
sodium 4,5-dimethyl-2-[(4-sulfophenyl)diazenyl]phenolate
CID 101119897
4-amino-3-[[4-[4-[(2-amino-5-sulfophenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonic acid
CID 11115006
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid
CID 146960262
2-[[4-[(4-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid
CID 89345714
CID 170841045
CID 170841045
6-amino-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonic acid
CID 135627073
6-amino-5-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 10478742
5-amino-8-[[4-[(Z)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 125125346

Frequently Asked Questions

What is the IUPAC name of 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid (CID 141240071) is 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid is Cc1ccc2c(/N=N/c3ccc(S(=O)(=O)O)cc3)ccc(N)c2n1.
What is the InChIKey of 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid?
The InChIKey is YMMMTMKWGXAYLK-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-10-2-7-13-15(9-8-14(17)16(13)18-10)20-19-11-3-5-12(6-4-11)24(21,22)23/h2-9H,17H2,1H3,(H,21,22,23)/b20-19+.
What are the key properties of 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid?
4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid has a molecular weight of 342.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 141240071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).