5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate

C19H12N3O6S2- — CID 137142938

IUPAC5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate
SMILESO=S([O-])c1cccc2c(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)cccc12
InChIInChI=1S/C19H13N3O6S2/c23-19-15(10-17(30(26,27)28)13-6-3-9-20-18(13)19)22-21-14-7-1-5-12-11(14)4-2-8-16(12)29(24)25/h1-10,23H,(H,24,25)(H,26,27,28)/p-1/b22-21+
InChIKeyINXGSWAULPYMOE-QURGRASLSA-M
MW442.45 g/mol
LogP3.99
Rot. Bonds4

About 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate

5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate (PubChem CID 137142938) has the molecular formula C19H12N3O6S2- and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate.

Molecular Properties

Compound Name5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate
PubChem CID137142938
Molecular FormulaC19H12N3O6S2-
Molecular Weight442.45 g/mol
Exact Mass442.02
IUPAC Name5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate
SMILESO=S([O-])c1cccc2c(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)cccc12
InChIInChI=1S/C19H13N3O6S2/c23-19-15(10-17(30(26,27)28)13-6-3-9-20-18(13)19)22-21-14-7-1-5-12-11(14)4-2-8-16(12)29(24)25/h1-10,23H,(H,24,25)(H,26,27,28)/p-1/b22-21+
InChIKeyINXGSWAULPYMOE-QURGRASLSA-M
XLogP3.99
TPSA152.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
CID 135974849
8-hydroxy-7-[(2-methylsulfanylphenyl)diazenyl]quinoline-5-sulfonic acid
CID 136704038
CID 135788850
CID 135788850
7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid
CID 136823052
8-hydroxy-7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]diazenyl]quinoline-5-sulfonic acid
CID 135974886
8-hydroxy-7-[[4-[(Z)-2-[4-[(8-hydroxy-5-sulfoquinolin-7-yl)methylideneamino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]iminomethyl]quinoline-5-sulfonic acid
CID 135499365
copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)
CID 118855960
8-nitrosoquinoline-5-sulfonic acid
CID 121342160
CID 173241757
CID 173241757
8-hydroxy-7-[(E)-[[(E)-4-[(2E)-2-[(8-hydroxy-5-sulfoquinolin-7-yl)methylidene]hydrazinyl]-4-oxobut-2-enoyl]hydrazinylidene]methyl]quinoline-5-sulfonic acid
CID 135484900
4-hydroxy-3-[[4-[4-[[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonic acid
CID 136694696
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819

Frequently Asked Questions

What is the IUPAC name of 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate?
The IUPAC name of 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate (CID 137142938) is 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate.
What is the SMILES notation for 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate?
The canonical SMILES for 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate is O=S([O-])c1cccc2c(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)cccc12.
What is the InChIKey of 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate?
The InChIKey is INXGSWAULPYMOE-QURGRASLSA-M. The full InChI is InChI=1S/C19H13N3O6S2/c23-19-15(10-17(30(26,27)28)13-6-3-9-20-18(13)19)22-21-14-7-1-5-12-11(14)4-2-8-16(12)29(24)25/h1-10,23H,(H,24,25)(H,26,27,28)/p-1/b22-21+.
What are the key properties of 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate?
5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate has a molecular weight of 442.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate is sourced from PubChem (CID 137142938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).