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

C22H20MnN2O6 — CID 139075582

IUPACmanganese(2+);methanol;bis(quinoline-2-carboxylate)
SMILESCO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Mn+2]
InChIInChI=1S/2C10H7NO2.2CH4O.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2;/h2*1-6H,(H,12,13);2*2H,1H3;/q;;;;+2/p-2
InChIKeyJTWNOCNWGZCYOB-UHFFFAOYSA-L
MW463.35 g/mol
LogP0.41
Rot. Bonds2

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

manganese(2+);methanol;bis(quinoline-2-carboxylate) (PubChem CID 139075582) has the molecular formula C22H20MnN2O6 and a molecular weight of 463.35 g/mol. Its IUPAC name is manganese(2+);methanol;bis(quinoline-2-carboxylate).

Molecular Properties

Compound Namemanganese(2+);methanol;bis(quinoline-2-carboxylate)
PubChem CID139075582
Molecular FormulaC22H20MnN2O6
Molecular Weight463.35 g/mol
Exact Mass463.07
IUPAC Namemanganese(2+);methanol;bis(quinoline-2-carboxylate)
SMILESCO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Mn+2]
InChIInChI=1S/2C10H7NO2.2CH4O.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2;/h2*1-6H,(H,12,13);2*2H,1H3;/q;;;;+2/p-2
InChIKeyJTWNOCNWGZCYOB-UHFFFAOYSA-L
XLogP0.41
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-Hydroxy-1,2-di(quinolin-2-yl)ethanone
CID 235225
4-Cyclohexyl quinaldic acid
CID 3002267
12-Cyclohexylindolo[2,1-a]isoquinoline-6,9-dicarboxylic acid
CID 11523906
Phenylchinolincarbonsaure
CID 3031738
(Benzhydrylideneamino) quinoline-2-carboxylate
CID 13976405
Quinoline-2-carbonyl quinoline-2-carboxylate
CID 53729387
Styrylquinolinecarboxylic
CID 67859269
3-Methyl-4-phenylquinoline-2-carboxylic acid
CID 69255480
Copper;bis(quinoline-2-carboxylic acid)
CID 129680371
Calcium quinolate
CID 129695117
Aluminum quinolate
CID 129705217
Quinaldate nitrogen
CID 129818252

Frequently Asked Questions

What is the IUPAC name of manganese(2+);methanol;bis(quinoline-2-carboxylate)?
The IUPAC name of manganese(2+);methanol;bis(quinoline-2-carboxylate) (CID 139075582) is manganese(2+);methanol;bis(quinoline-2-carboxylate).
What is the SMILES notation for manganese(2+);methanol;bis(quinoline-2-carboxylate)?
The canonical SMILES for manganese(2+);methanol;bis(quinoline-2-carboxylate) is CO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Mn+2].
What is the InChIKey of manganese(2+);methanol;bis(quinoline-2-carboxylate)?
The InChIKey is JTWNOCNWGZCYOB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO2.2CH4O.Mn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2;/h2*1-6H,(H,12,13);2*2H,1H3;/q;;;;+2/p-2.
What are the key properties of manganese(2+);methanol;bis(quinoline-2-carboxylate)?
manganese(2+);methanol;bis(quinoline-2-carboxylate) has a molecular weight of 463.35 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);methanol;bis(quinoline-2-carboxylate) is sourced from PubChem (CID 139075582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).