disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate

C40H28Ag2N6O14 — CID 139139320

IUPACdisilver;tetrakis(quinoline-6-carboxylic acid);dinitrate
SMILESO=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C10H7NO2.2Ag.2NO3/c4*12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;;;2*2-1(3)4/h4*1-6H,(H,12,13);;;;/q;;;;2*+1;2*-1
InChIKeyMDNVDWULGOMNRP-UHFFFAOYSA-N
MW1032.43 g/mol
LogP7.25
Rot. Bonds4

About disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate

disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate (PubChem CID 139139320) has the molecular formula C40H28Ag2N6O14 and a molecular weight of 1032.43 g/mol. Its IUPAC name is disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate.

Molecular Properties

Compound Namedisilver;tetrakis(quinoline-6-carboxylic acid);dinitrate
PubChem CID139139320
Molecular FormulaC40H28Ag2N6O14
Molecular Weight1032.43 g/mol
Exact Mass1029.98
IUPAC Namedisilver;tetrakis(quinoline-6-carboxylic acid);dinitrate
SMILESO=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C10H7NO2.2Ag.2NO3/c4*12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;;;2*2-1(3)4/h4*1-6H,(H,12,13);;;;/q;;;;2*+1;2*-1
InChIKeyMDNVDWULGOMNRP-UHFFFAOYSA-N
XLogP7.25
TPSA333.16 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.43
LogP ≤ 57.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate?
The IUPAC name of disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate (CID 139139320) is disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate.
What is the SMILES notation for disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate?
The canonical SMILES for disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate is O=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate?
The InChIKey is MDNVDWULGOMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H7NO2.2Ag.2NO3/c4*12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;;;2*2-1(3)4/h4*1-6H,(H,12,13);;;;/q;;;;2*+1;2*-1.
What are the key properties of disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate?
disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate has a molecular weight of 1032.43 g/mol, XLogP of 7.25, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(quinoline-6-carboxylic acid);dinitrate is sourced from PubChem (CID 139139320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).