tris[(5-methylquinolin-8-yl)oxy]alumane

C30H24AlN3O3 — CID 20608031

IUPACtris[(5-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc(O[Al](Oc2ccc(C)c3cccnc23)Oc2ccc(C)c3cccnc23)c2ncccc12
InChIInChI=1S/3C10H9NO.Al/c3*1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyHSRBHVUVCOUJAC-UHFFFAOYSA-K
MW501.52 g/mol
LogP6.78
Rot. Bonds6

About tris[(5-methylquinolin-8-yl)oxy]alumane

tris[(5-methylquinolin-8-yl)oxy]alumane (PubChem CID 20608031) has the molecular formula C30H24AlN3O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is tris[(5-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Nametris[(5-methylquinolin-8-yl)oxy]alumane
PubChem CID20608031
Molecular FormulaC30H24AlN3O3
Molecular Weight501.52 g/mol
Exact Mass501.16
IUPAC Nametris[(5-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc(O[Al](Oc2ccc(C)c3cccnc23)Oc2ccc(C)c3cccnc23)c2ncccc12
InChIInChI=1S/3C10H9NO.Al/c3*1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyHSRBHVUVCOUJAC-UHFFFAOYSA-K
XLogP6.78
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.52
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Oxine-copper
CID 3032555
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
5-({Benzyl[(8-hydroxy-5-quinolinyl)methyl]amino}methyl)-8-quinolinol
CID 25015251
5-[[(8-Hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
CID 25268549
5-[[(8-Hydroxyquinolin-5-yl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-8-ol
CID 25268907
5-[[(8-Hydroxyquinolin-5-yl)methyl-[(3-iodophenyl)methyl]amino]methyl]quinolin-8-ol
CID 45112559
5,5'-(2-(Pyrrolidin-1-yl)ethylazanediyl)bis(methylene)diquinolin-8-ol
CID 45112673

Frequently Asked Questions

What is the IUPAC name of tris[(5-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of tris[(5-methylquinolin-8-yl)oxy]alumane (CID 20608031) is tris[(5-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for tris[(5-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for tris[(5-methylquinolin-8-yl)oxy]alumane is Cc1ccc(O[Al](Oc2ccc(C)c3cccnc23)Oc2ccc(C)c3cccnc23)c2ncccc12.
What is the InChIKey of tris[(5-methylquinolin-8-yl)oxy]alumane?
The InChIKey is HSRBHVUVCOUJAC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H9NO.Al/c3*1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h3*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of tris[(5-methylquinolin-8-yl)oxy]alumane?
tris[(5-methylquinolin-8-yl)oxy]alumane has a molecular weight of 501.52 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(5-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 20608031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).