tris(quinoline-2-carboxylate);ruthenium(3+)

C30H18N3O6Ru — CID 15777317

IUPACtris(quinoline-2-carboxylate);ruthenium(3+)
SMILESO=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ru+3]
InChIInChI=1S/3C10H7NO2.Ru/c3*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h3*1-6H,(H,12,13);/q;;;+3/p-3
InChIKeyHFEJIEUGCUSQNV-UHFFFAOYSA-K
MW617.56 g/mol
LogP1.79
Rot. Bonds3

About tris(quinoline-2-carboxylate);ruthenium(3+)

tris(quinoline-2-carboxylate);ruthenium(3+) (PubChem CID 15777317) has the molecular formula C30H18N3O6Ru and a molecular weight of 617.56 g/mol. Its IUPAC name is tris(quinoline-2-carboxylate);ruthenium(3+).

Molecular Properties

Compound Nametris(quinoline-2-carboxylate);ruthenium(3+)
PubChem CID15777317
Molecular FormulaC30H18N3O6Ru
Molecular Weight617.56 g/mol
Exact Mass618.02
IUPAC Nametris(quinoline-2-carboxylate);ruthenium(3+)
SMILESO=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ru+3]
InChIInChI=1S/3C10H7NO2.Ru/c3*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h3*1-6H,(H,12,13);/q;;;+3/p-3
InChIKeyHFEJIEUGCUSQNV-UHFFFAOYSA-K
XLogP1.79
TPSA159.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.56
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

copper(1+);quinoline-2-carboxylate
CID 159046158
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)
CID 70528464
manganese;bis(quinoline-2-carboxylic acid);benzoate
CID 139073952
europium;quinoline-2-carboxylic acid
CID 87730482
copper;quinoline-2-carboxylic acid
CID 68537473
(2-phenylphenoxy)aluminum(2+);bis(quinoline-2-carboxylate)
CID 161019161
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
quinoline-2-carboxamide;hydrobromide
CID 141009871
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
CID 161281682
2-amino-1-quinolin-2-ylethanone
CID 23532024

Frequently Asked Questions

What is the IUPAC name of tris(quinoline-2-carboxylate);ruthenium(3+)?
The IUPAC name of tris(quinoline-2-carboxylate);ruthenium(3+) (CID 15777317) is tris(quinoline-2-carboxylate);ruthenium(3+).
What is the SMILES notation for tris(quinoline-2-carboxylate);ruthenium(3+)?
The canonical SMILES for tris(quinoline-2-carboxylate);ruthenium(3+) is O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ru+3].
What is the InChIKey of tris(quinoline-2-carboxylate);ruthenium(3+)?
The InChIKey is HFEJIEUGCUSQNV-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H7NO2.Ru/c3*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h3*1-6H,(H,12,13);/q;;;+3/p-3.
What are the key properties of tris(quinoline-2-carboxylate);ruthenium(3+)?
tris(quinoline-2-carboxylate);ruthenium(3+) has a molecular weight of 617.56 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(quinoline-2-carboxylate);ruthenium(3+) is sourced from PubChem (CID 15777317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).