3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid

C19H13N3O7S2 — CID 3270603

IUPAC3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(/N=N/c3cccc4cccnc34)c(O)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C19H13N3O7S2/c23-19-16(31(27,28)29)10-12-9-13(30(24,25)26)6-7-14(12)18(19)22-21-15-5-1-3-11-4-2-8-20-17(11)15/h1-10,23H,(H,24,25,26)(H,27,28,29)/b22-21+
InChIKeyDUACZUDBURWDGK-QURGRASLSA-N
MW459.46 g/mol
LogP4.00
Rot. Bonds4

About 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid

3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid (PubChem CID 3270603) has the molecular formula C19H13N3O7S2 and a molecular weight of 459.46 g/mol. Its IUPAC name is 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid
PubChem CID3270603
Molecular FormulaC19H13N3O7S2
Molecular Weight459.46 g/mol
Exact Mass459.02
IUPAC Name3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(/N=N/c3cccc4cccnc34)c(O)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C19H13N3O7S2/c23-19-16(31(27,28)29)10-12-9-13(30(24,25)26)6-7-14(12)18(19)22-21-15-5-1-3-11-4-2-8-20-17(11)15/h1-10,23H,(H,24,25,26)(H,27,28,29)/b22-21+
InChIKeyDUACZUDBURWDGK-QURGRASLSA-N
XLogP4.00
TPSA166.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid?
The IUPAC name of 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid (CID 3270603) is 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid.
What is the SMILES notation for 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid?
The canonical SMILES for 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid is O=S(=O)(O)c1ccc2c(/N=N/c3cccc4cccnc34)c(O)c(S(=O)(=O)O)cc2c1.
What is the InChIKey of 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid?
The InChIKey is DUACZUDBURWDGK-QURGRASLSA-N. The full InChI is InChI=1S/C19H13N3O7S2/c23-19-16(31(27,28)29)10-12-9-13(30(24,25)26)6-7-14(12)18(19)22-21-15-5-1-3-11-4-2-8-20-17(11)15/h1-10,23H,(H,24,25,26)(H,27,28,29)/b22-21+.
What are the key properties of 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid?
3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid has a molecular weight of 459.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(quinolin-8-yldiazenyl)naphthalene-2,7-disulfonic acid is sourced from PubChem (CID 3270603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).