calcium bis(2-carboxyquinolin-8-olate)

C20H12CaN2O6 — CID 68819194

IUPACcalcium bis(2-carboxyquinolin-8-olate)
SMILESO=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Ca+2]
InChIInChI=1S/2C10H7NO3.Ca/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h2*1-5,12H,(H,13,14);/q;;+2/p-2
InChIKeyUCRNOUMZDNKTST-UHFFFAOYSA-L
MW416.40 g/mol
LogP1.63
Rot. Bonds2

About calcium bis(2-carboxyquinolin-8-olate)

calcium bis(2-carboxyquinolin-8-olate) (PubChem CID 68819194) has the molecular formula C20H12CaN2O6 and a molecular weight of 416.40 g/mol. Its IUPAC name is calcium bis(2-carboxyquinolin-8-olate).

Molecular Properties

Compound Namecalcium bis(2-carboxyquinolin-8-olate)
PubChem CID68819194
Molecular FormulaC20H12CaN2O6
Molecular Weight416.40 g/mol
Exact Mass416.03
IUPAC Namecalcium bis(2-carboxyquinolin-8-olate)
SMILESO=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Ca+2]
InChIInChI=1S/2C10H7NO3.Ca/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h2*1-5,12H,(H,13,14);/q;;+2/p-2
InChIKeyUCRNOUMZDNKTST-UHFFFAOYSA-L
XLogP1.63
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of calcium bis(2-carboxyquinolin-8-olate)?
The IUPAC name of calcium bis(2-carboxyquinolin-8-olate) (CID 68819194) is calcium bis(2-carboxyquinolin-8-olate).
What is the SMILES notation for calcium bis(2-carboxyquinolin-8-olate)?
The canonical SMILES for calcium bis(2-carboxyquinolin-8-olate) is O=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Ca+2].
What is the InChIKey of calcium bis(2-carboxyquinolin-8-olate)?
The InChIKey is UCRNOUMZDNKTST-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO3.Ca/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h2*1-5,12H,(H,13,14);/q;;+2/p-2.
What are the key properties of calcium bis(2-carboxyquinolin-8-olate)?
calcium bis(2-carboxyquinolin-8-olate) has a molecular weight of 416.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(2-carboxyquinolin-8-olate) is sourced from PubChem (CID 68819194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).