naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc

C19H16N2O6S2Zn — CID 175008828

IUPACnaphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
SMILESNc1cccc2cccnc12.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[Zn]
InChIInChI=1S/C10H8O6S2.C9H8N2.Zn/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H,(H,11,12,13)(H,14,15,16);1-6H,10H2;
InChIKeyUCAIPGZAZOWTIR-UHFFFAOYSA-N
MW497.87 g/mol
LogP3.15
Rot. Bonds2

About naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc

naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc (PubChem CID 175008828) has the molecular formula C19H16N2O6S2Zn and a molecular weight of 497.87 g/mol. Its IUPAC name is naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc.

Molecular Properties

Compound Namenaphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
PubChem CID175008828
Molecular FormulaC19H16N2O6S2Zn
Molecular Weight497.87 g/mol
Exact Mass495.97
IUPAC Namenaphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
SMILESNc1cccc2cccnc12.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[Zn]
InChIInChI=1S/C10H8O6S2.C9H8N2.Zn/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H,(H,11,12,13)(H,14,15,16);1-6H,10H2;
InChIKeyUCAIPGZAZOWTIR-UHFFFAOYSA-N
XLogP3.15
TPSA147.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.87
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

zinc;naphthalene-1,5-disulfonate;quinolin-8-amine
CID 175009147
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CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
2-methylaniline;naphthalene-1-sulfonic acid
CID 87775732
naphthalene-1-sulfonic acid
CID 158712346
CID 173241757
CID 173241757
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CID 174421353
naphthalene-1-sulfonic acid;2H-triazole
CID 122441144
aluminum naphthalene-1-sulfonic acid
CID 19753639
CID 87877281
CID 87877281
naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc
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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc?
The IUPAC name of naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc (CID 175008828) is naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc.
What is the SMILES notation for naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc?
The canonical SMILES for naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc is Nc1cccc2cccnc12.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[Zn].
What is the InChIKey of naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc?
The InChIKey is UCAIPGZAZOWTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2.C9H8N2.Zn/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H,(H,11,12,13)(H,14,15,16);1-6H,10H2;.
What are the key properties of naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc?
naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc has a molecular weight of 497.87 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc is sourced from PubChem (CID 175008828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).