ethanol;manganese(2+);bis(quinoline-2-carboxylate)

C24H24MnN2O6 — CID 139145751

IUPACethanol;manganese(2+);bis(quinoline-2-carboxylate)
SMILESCCO.CCO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Mn+2]
InChIInChI=1S/2C10H7NO2.2C2H6O.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3;/h2*1-6H,(H,12,13);2*3H,2H2,1H3;/q;;;;+2/p-2
InChIKeyPMIATGUHBCTESK-UHFFFAOYSA-L
MW491.40 g/mol
LogP1.19
Rot. Bonds2

About ethanol;manganese(2+);bis(quinoline-2-carboxylate)

ethanol;manganese(2+);bis(quinoline-2-carboxylate) (PubChem CID 139145751) has the molecular formula C24H24MnN2O6 and a molecular weight of 491.40 g/mol. Its IUPAC name is ethanol;manganese(2+);bis(quinoline-2-carboxylate).

Molecular Properties

Compound Nameethanol;manganese(2+);bis(quinoline-2-carboxylate)
PubChem CID139145751
Molecular FormulaC24H24MnN2O6
Molecular Weight491.40 g/mol
Exact Mass491.10
IUPAC Nameethanol;manganese(2+);bis(quinoline-2-carboxylate)
SMILESCCO.CCO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Mn+2]
InChIInChI=1S/2C10H7NO2.2C2H6O.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3;/h2*1-6H,(H,12,13);2*3H,2H2,1H3;/q;;;;+2/p-2
InChIKeyPMIATGUHBCTESK-UHFFFAOYSA-L
XLogP1.19
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethanol;manganese(2+);bis(quinoline-2-carboxylate)?
The IUPAC name of ethanol;manganese(2+);bis(quinoline-2-carboxylate) (CID 139145751) is ethanol;manganese(2+);bis(quinoline-2-carboxylate).
What is the SMILES notation for ethanol;manganese(2+);bis(quinoline-2-carboxylate)?
The canonical SMILES for ethanol;manganese(2+);bis(quinoline-2-carboxylate) is CCO.CCO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Mn+2].
What is the InChIKey of ethanol;manganese(2+);bis(quinoline-2-carboxylate)?
The InChIKey is PMIATGUHBCTESK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO2.2C2H6O.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3;/h2*1-6H,(H,12,13);2*3H,2H2,1H3;/q;;;;+2/p-2.
What are the key properties of ethanol;manganese(2+);bis(quinoline-2-carboxylate)?
ethanol;manganese(2+);bis(quinoline-2-carboxylate) has a molecular weight of 491.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;manganese(2+);bis(quinoline-2-carboxylate) is sourced from PubChem (CID 139145751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).