(2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane

C32H25AlN2O3 — CID 58820644

IUPAC(2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3c(C)ccc4cccnc34)c2n1
InChIInChI=1S/C12H10O.2C10H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-7-4-5-8-3-2-6-11-9(8)10(7)12;1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyJMIYERWWZBNUAI-UHFFFAOYSA-K
MW512.55 g/mol
LogP7.59
Rot. Bonds7

About (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane

(2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane (PubChem CID 58820644) has the molecular formula C32H25AlN2O3 and a molecular weight of 512.55 g/mol. Its IUPAC name is (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane.

Molecular Properties

Compound Name(2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
PubChem CID58820644
Molecular FormulaC32H25AlN2O3
Molecular Weight512.55 g/mol
Exact Mass512.17
IUPAC Name(2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3c(C)ccc4cccnc34)c2n1
InChIInChI=1S/C12H10O.2C10H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-7-4-5-8-3-2-6-11-9(8)10(7)12;1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyJMIYERWWZBNUAI-UHFFFAOYSA-K
XLogP7.59
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
8-Quinolinol, 7,7'-[(4-methoxyphenyl)methylene]bis-
CID 361376
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
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
The IUPAC name of (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane (CID 58820644) is (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane.
What is the SMILES notation for (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
The canonical SMILES for (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3c(C)ccc4cccnc34)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
The InChIKey is JMIYERWWZBNUAI-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10O.2C10H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-7-4-5-8-3-2-6-11-9(8)10(7)12;1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
(2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane has a molecular weight of 512.55 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl)oxy-(7-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane is sourced from PubChem (CID 58820644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).