zinc;methanol;bis(quinoline-2-carboxylate)

C22H20N2O6Zn — CID 139066399

IUPACzinc;methanol;bis(quinoline-2-carboxylate)
SMILESCO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Zn+2]
InChIInChI=1S/2C10H7NO2.2CH4O.Zn/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
InChIKeyDYSCJBIVDJCYSB-UHFFFAOYSA-L
MW473.80 g/mol
LogP0.41
Rot. Bonds2

About zinc;methanol;bis(quinoline-2-carboxylate)

zinc;methanol;bis(quinoline-2-carboxylate) (PubChem CID 139066399) has the molecular formula C22H20N2O6Zn and a molecular weight of 473.80 g/mol. Its IUPAC name is zinc;methanol;bis(quinoline-2-carboxylate).

Molecular Properties

Compound Namezinc;methanol;bis(quinoline-2-carboxylate)
PubChem CID139066399
Molecular FormulaC22H20N2O6Zn
Molecular Weight473.80 g/mol
Exact Mass472.06
IUPAC Namezinc;methanol;bis(quinoline-2-carboxylate)
SMILESCO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Zn+2]
InChIInChI=1S/2C10H7NO2.2CH4O.Zn/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
InChIKeyDYSCJBIVDJCYSB-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 ≤ 500473.80
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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 zinc;methanol;bis(quinoline-2-carboxylate)?
The IUPAC name of zinc;methanol;bis(quinoline-2-carboxylate) (CID 139066399) is zinc;methanol;bis(quinoline-2-carboxylate).
What is the SMILES notation for zinc;methanol;bis(quinoline-2-carboxylate)?
The canonical SMILES for zinc;methanol;bis(quinoline-2-carboxylate) is CO.CO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Zn+2].
What is the InChIKey of zinc;methanol;bis(quinoline-2-carboxylate)?
The InChIKey is DYSCJBIVDJCYSB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO2.2CH4O.Zn/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 zinc;methanol;bis(quinoline-2-carboxylate)?
zinc;methanol;bis(quinoline-2-carboxylate) has a molecular weight of 473.80 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 zinc;methanol;bis(quinoline-2-carboxylate) is sourced from PubChem (CID 139066399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).