manganese;bis(quinoline-2-carboxylic acid);benzoate

C27H19MnN2O6- — CID 139073952

IUPACmanganese;bis(quinoline-2-carboxylic acid);benzoate
SMILESO=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C([O-])c1ccccc1.[Mn]
InChIInChI=1S/2C10H7NO2.C7H6O2.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;8-7(9)6-4-2-1-3-5-6;/h2*1-6H,(H,12,13);1-5H,(H,8,9);/p-1
InChIKeyRNFGOLWQVGSWMA-UHFFFAOYSA-M
MW522.40 g/mol
LogP3.91
Rot. Bonds3

About manganese;bis(quinoline-2-carboxylic acid);benzoate

manganese;bis(quinoline-2-carboxylic acid);benzoate (PubChem CID 139073952) has the molecular formula C27H19MnN2O6- and a molecular weight of 522.40 g/mol. Its IUPAC name is manganese;bis(quinoline-2-carboxylic acid);benzoate.

Molecular Properties

Compound Namemanganese;bis(quinoline-2-carboxylic acid);benzoate
PubChem CID139073952
Molecular FormulaC27H19MnN2O6-
Molecular Weight522.40 g/mol
Exact Mass522.06
IUPAC Namemanganese;bis(quinoline-2-carboxylic acid);benzoate
SMILESO=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C([O-])c1ccccc1.[Mn]
InChIInChI=1S/2C10H7NO2.C7H6O2.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;8-7(9)6-4-2-1-3-5-6;/h2*1-6H,(H,12,13);1-5H,(H,8,9);/p-1
InChIKeyRNFGOLWQVGSWMA-UHFFFAOYSA-M
XLogP3.91
TPSA140.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
copper(1+);quinoline-2-carboxylate
CID 159046158
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
methanesulfonic acid;quinoline-2-carboxylic acid;hydrate
CID 172686492
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
platinum(4+) tetrabenzoate
CID 173022810
cadmium(2+) benzoate
CID 22051861
benzoate tetrahydrate
CID 18510013

Frequently Asked Questions

What is the IUPAC name of manganese;bis(quinoline-2-carboxylic acid);benzoate?
The IUPAC name of manganese;bis(quinoline-2-carboxylic acid);benzoate (CID 139073952) is manganese;bis(quinoline-2-carboxylic acid);benzoate.
What is the SMILES notation for manganese;bis(quinoline-2-carboxylic acid);benzoate?
The canonical SMILES for manganese;bis(quinoline-2-carboxylic acid);benzoate is O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C([O-])c1ccccc1.[Mn].
What is the InChIKey of manganese;bis(quinoline-2-carboxylic acid);benzoate?
The InChIKey is RNFGOLWQVGSWMA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H7NO2.C7H6O2.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;8-7(9)6-4-2-1-3-5-6;/h2*1-6H,(H,12,13);1-5H,(H,8,9);/p-1.
What are the key properties of manganese;bis(quinoline-2-carboxylic acid);benzoate?
manganese;bis(quinoline-2-carboxylic acid);benzoate has a molecular weight of 522.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;bis(quinoline-2-carboxylic acid);benzoate is sourced from PubChem (CID 139073952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).