aluminum tris(5-methoxyquinolin-8-olate)

C30H24AlN3O6 — CID 102399883

IUPACaluminum tris(5-methoxyquinolin-8-olate)
SMILESCOc1ccc([O-])c2ncccc12.COc1ccc([O-])c2ncccc12.COc1ccc([O-])c2ncccc12.[Al+3]
InChIInChI=1S/3C10H9NO2.Al/c3*1-13-9-5-4-8(12)10-7(9)3-2-6-11-10;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyBDECDABJCNOATN-UHFFFAOYSA-K
MW549.52 g/mol
LogP3.57
Rot. Bonds3

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

aluminum tris(5-methoxyquinolin-8-olate) (PubChem CID 102399883) has the molecular formula C30H24AlN3O6 and a molecular weight of 549.52 g/mol. Its IUPAC name is aluminum tris(5-methoxyquinolin-8-olate).

Molecular Properties

Compound Namealuminum tris(5-methoxyquinolin-8-olate)
PubChem CID102399883
Molecular FormulaC30H24AlN3O6
Molecular Weight549.52 g/mol
Exact Mass549.15
IUPAC Namealuminum tris(5-methoxyquinolin-8-olate)
SMILESCOc1ccc([O-])c2ncccc12.COc1ccc([O-])c2ncccc12.COc1ccc([O-])c2ncccc12.[Al+3]
InChIInChI=1S/3C10H9NO2.Al/c3*1-13-9-5-4-8(12)10-7(9)3-2-6-11-10;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyBDECDABJCNOATN-UHFFFAOYSA-K
XLogP3.57
TPSA135.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
SB 714786
CID 10287730
2-Methyl-5-(2-{4-[3-pyridin-4-ylbenzyl]piperidin-1-yl}ethoxy)quinoline
CID 10288132
3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
8-Quinolinol, 7,7'-[(4-methoxyphenyl)methylene]bis-
CID 361376
Quinoline, 4-(2,5-dimethoxystyryl)-
CID 5929717
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
8-Quinolyl N-(3-methoxyphenyl)carbamate
CID 4116749
5,8-Dimethoxyquinoline
CID 268973
2H-Pyrido[3,3-benzoxazine, 3-cyclohexyl-3,4-dihydro-
CID 291306

Frequently Asked Questions

What is the IUPAC name of aluminum tris(5-methoxyquinolin-8-olate)?
The IUPAC name of aluminum tris(5-methoxyquinolin-8-olate) (CID 102399883) is aluminum tris(5-methoxyquinolin-8-olate).
What is the SMILES notation for aluminum tris(5-methoxyquinolin-8-olate)?
The canonical SMILES for aluminum tris(5-methoxyquinolin-8-olate) is COc1ccc([O-])c2ncccc12.COc1ccc([O-])c2ncccc12.COc1ccc([O-])c2ncccc12.[Al+3].
What is the InChIKey of aluminum tris(5-methoxyquinolin-8-olate)?
The InChIKey is BDECDABJCNOATN-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H9NO2.Al/c3*1-13-9-5-4-8(12)10-7(9)3-2-6-11-10;/h3*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of aluminum tris(5-methoxyquinolin-8-olate)?
aluminum tris(5-methoxyquinolin-8-olate) has a molecular weight of 549.52 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(5-methoxyquinolin-8-olate) is sourced from PubChem (CID 102399883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).