bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane

C39H28AlN3O3 — CID 58965826

IUPACbis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc4cc(-c5cnc6ccccc6c5)ccc4c3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C19H13NO.2C10H9NO.Al/c21-18-8-7-13-9-14(5-6-15(13)11-18)17-10-16-3-1-2-4-19(16)20-12-17;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-12,21H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyZHKUXONUYPSBLU-UHFFFAOYSA-K
MW613.65 g/mol
LogP9.29
Rot. Bonds7

About bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane

bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane (PubChem CID 58965826) has the molecular formula C39H28AlN3O3 and a molecular weight of 613.65 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane
PubChem CID58965826
Molecular FormulaC39H28AlN3O3
Molecular Weight613.65 g/mol
Exact Mass613.19
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc4cc(-c5cnc6ccccc6c5)ccc4c3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C19H13NO.2C10H9NO.Al/c21-18-8-7-13-9-14(5-6-15(13)11-18)17-10-16-3-1-2-4-19(16)20-12-17;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-12,21H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyZHKUXONUYPSBLU-UHFFFAOYSA-K
XLogP9.29
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.65
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane with MolForge

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Related Compounds

Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
Gallium 8-hydroxyquinolinate
CID 16686135
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
5-[[(8-hydroxyquinolin-5-yl)methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]quinolin-8-ol
CID 25268908
5-(Indol-1-ylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965949
5-[(7-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145967324
5-[(2-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976281
5-[(2,3-Dimethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977840

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane (CID 58965826) is bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane is Cc1ccc2cccc(O[Al](Oc3ccc4cc(-c5cnc6ccccc6c5)ccc4c3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane?
The InChIKey is ZHKUXONUYPSBLU-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H13NO.2C10H9NO.Al/c21-18-8-7-13-9-14(5-6-15(13)11-18)17-10-16-3-1-2-4-19(16)20-12-17;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-12,21H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane?
bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane has a molecular weight of 613.65 g/mol, XLogP of 9.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]-(6-quinolin-3-ylnaphthalen-2-yl)oxyalumane is sourced from PubChem (CID 58965826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).