aluminum tris(3-carboxyquinoxalin-5-olate)

C27H15AlN6O9 — CID 173096044

IUPACaluminum tris(3-carboxyquinoxalin-5-olate)
SMILESO=C(O)c1cnc2cccc([O-])c2n1.O=C(O)c1cnc2cccc([O-])c2n1.O=C(O)c1cnc2cccc([O-])c2n1.[Al+3]
InChIInChI=1S/3C9H6N2O3.Al/c3*12-7-3-1-2-5-8(7)11-6(4-10-5)9(13)14;/h3*1-4,12H,(H,13,14);/q;;;+3/p-3
InChIKeyMAFONDCYXWMGLH-UHFFFAOYSA-K
MW594.43 g/mol
LogP0.82
Rot. Bonds3

About aluminum tris(3-carboxyquinoxalin-5-olate)

aluminum tris(3-carboxyquinoxalin-5-olate) (PubChem CID 173096044) has the molecular formula C27H15AlN6O9 and a molecular weight of 594.43 g/mol. Its IUPAC name is aluminum tris(3-carboxyquinoxalin-5-olate).

Molecular Properties

Compound Namealuminum tris(3-carboxyquinoxalin-5-olate)
PubChem CID173096044
Molecular FormulaC27H15AlN6O9
Molecular Weight594.43 g/mol
Exact Mass594.07
IUPAC Namealuminum tris(3-carboxyquinoxalin-5-olate)
SMILESO=C(O)c1cnc2cccc([O-])c2n1.O=C(O)c1cnc2cccc([O-])c2n1.O=C(O)c1cnc2cccc([O-])c2n1.[Al+3]
InChIInChI=1S/3C9H6N2O3.Al/c3*12-7-3-1-2-5-8(7)11-6(4-10-5)9(13)14;/h3*1-4,12H,(H,13,14);/q;;;+3/p-3
InChIKeyMAFONDCYXWMGLH-UHFFFAOYSA-K
XLogP0.82
TPSA258.42 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.43
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

2-carboxyquinolin-8-olate
CID 54696394
tris(2-carboxyquinolin-8-olate);terbium(3+)
CID 157443748
bis(2-carboxyquinolin-8-olate);europium(2+)
CID 87928997
copper bis(2-carboxyquinolin-8-olate)
CID 54720975
calcium bis(2-carboxyquinolin-8-olate)
CID 68819194
2-carboxyquinolin-8-olate;methylmercury(1+)
CID 70518723
isoquinoline;quinoxaline-2-carboxylic acid
CID 159466037
3-chloroquinoxaline-5-carboxylic acid
CID 115026152
pyrido[2,3-g]quinoxaline-2-carboxylic acid
CID 67024086
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
CID 91986542
CID 91986542
6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
CID 102349803

Frequently Asked Questions

What is the IUPAC name of aluminum tris(3-carboxyquinoxalin-5-olate)?
The IUPAC name of aluminum tris(3-carboxyquinoxalin-5-olate) (CID 173096044) is aluminum tris(3-carboxyquinoxalin-5-olate).
What is the SMILES notation for aluminum tris(3-carboxyquinoxalin-5-olate)?
The canonical SMILES for aluminum tris(3-carboxyquinoxalin-5-olate) is O=C(O)c1cnc2cccc([O-])c2n1.O=C(O)c1cnc2cccc([O-])c2n1.O=C(O)c1cnc2cccc([O-])c2n1.[Al+3].
What is the InChIKey of aluminum tris(3-carboxyquinoxalin-5-olate)?
The InChIKey is MAFONDCYXWMGLH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H6N2O3.Al/c3*12-7-3-1-2-5-8(7)11-6(4-10-5)9(13)14;/h3*1-4,12H,(H,13,14);/q;;;+3/p-3.
What are the key properties of aluminum tris(3-carboxyquinoxalin-5-olate)?
aluminum tris(3-carboxyquinoxalin-5-olate) has a molecular weight of 594.43 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(3-carboxyquinoxalin-5-olate) is sourced from PubChem (CID 173096044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).