aluminum tris(5-chloroquinolin-8-olate)

C27H15AlCl3N3O3 — CID 67131824

IUPACaluminum tris(5-chloroquinolin-8-olate)
SMILES[Al+3].[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12
InChIInChI=1S/3C9H6ClNO.Al/c3*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h3*1-5,12H;/q;;;+3/p-3
InChIKeyMGGWGZVGKDPGDJ-UHFFFAOYSA-K
MW562.78 g/mol
LogP5.50
Rot. Bonds

About aluminum tris(5-chloroquinolin-8-olate)

aluminum tris(5-chloroquinolin-8-olate) (PubChem CID 67131824) has the molecular formula C27H15AlCl3N3O3 and a molecular weight of 562.78 g/mol. Its IUPAC name is aluminum tris(5-chloroquinolin-8-olate).

Molecular Properties

Compound Namealuminum tris(5-chloroquinolin-8-olate)
PubChem CID67131824
Molecular FormulaC27H15AlCl3N3O3
Molecular Weight562.78 g/mol
Exact Mass561.00
IUPAC Namealuminum tris(5-chloroquinolin-8-olate)
SMILES[Al+3].[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12
InChIInChI=1S/3C9H6ClNO.Al/c3*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h3*1-5,12H;/q;;;+3/p-3
InChIKeyMGGWGZVGKDPGDJ-UHFFFAOYSA-K
XLogP5.50
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.78
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)
CID 10372141
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
CID 172791001
CID 172791001
CID 6367063
CID 6367063
tris(5,7-dichloroquinolin-8-olate);europium(3+)
CID 171040997
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
CID 71625723
CID 12945983
CID 12945983
5-chloro-7-iodoquinolin-8-olate
CID 149159528
5-chloroquinoline-8-sulfonyl chloride
CID 4206949

Frequently Asked Questions

What is the IUPAC name of aluminum tris(5-chloroquinolin-8-olate)?
The IUPAC name of aluminum tris(5-chloroquinolin-8-olate) (CID 67131824) is aluminum tris(5-chloroquinolin-8-olate).
What is the SMILES notation for aluminum tris(5-chloroquinolin-8-olate)?
The canonical SMILES for aluminum tris(5-chloroquinolin-8-olate) is [Al+3].[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.
What is the InChIKey of aluminum tris(5-chloroquinolin-8-olate)?
The InChIKey is MGGWGZVGKDPGDJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H6ClNO.Al/c3*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h3*1-5,12H;/q;;;+3/p-3.
What are the key properties of aluminum tris(5-chloroquinolin-8-olate)?
aluminum tris(5-chloroquinolin-8-olate) has a molecular weight of 562.78 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(5-chloroquinolin-8-olate) is sourced from PubChem (CID 67131824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).