tris[(2-methylquinolin-8-yl)oxy]gallane

C30H24GaN3O3 — CID 59002282

IUPACtris[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/3C10H9NO.Ga/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyIIPWAMGCERXMHA-UHFFFAOYSA-K
MW544.26 g/mol
LogP6.78
Rot. Bonds6

About tris[(2-methylquinolin-8-yl)oxy]gallane

tris[(2-methylquinolin-8-yl)oxy]gallane (PubChem CID 59002282) has the molecular formula C30H24GaN3O3 and a molecular weight of 544.26 g/mol. Its IUPAC name is tris[(2-methylquinolin-8-yl)oxy]gallane.

Molecular Properties

Compound Nametris[(2-methylquinolin-8-yl)oxy]gallane
PubChem CID59002282
Molecular FormulaC30H24GaN3O3
Molecular Weight544.26 g/mol
Exact Mass543.11
IUPAC Nametris[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/3C10H9NO.Ga/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyIIPWAMGCERXMHA-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 ≤ 500544.26
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
CID 20679832
CID 20665518
CID 20665518
CID 66916636
CID 66916636
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate
CID 3406785
O-(2-methylquinolin-8-yl) N-phenylcarbamothioate
CID 3418096
CID 172780914
CID 172780914
bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine
CID 161110483
[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate
CID 140564050
[4-methyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-yl]hydrazine
CID 80913418
8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
CID 114870685
2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole
CID 64623654

Frequently Asked Questions

What is the IUPAC name of tris[(2-methylquinolin-8-yl)oxy]gallane?
The IUPAC name of tris[(2-methylquinolin-8-yl)oxy]gallane (CID 59002282) is tris[(2-methylquinolin-8-yl)oxy]gallane.
What is the SMILES notation for tris[(2-methylquinolin-8-yl)oxy]gallane?
The canonical SMILES for tris[(2-methylquinolin-8-yl)oxy]gallane is Cc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of tris[(2-methylquinolin-8-yl)oxy]gallane?
The InChIKey is IIPWAMGCERXMHA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H9NO.Ga/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h3*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of tris[(2-methylquinolin-8-yl)oxy]gallane?
tris[(2-methylquinolin-8-yl)oxy]gallane has a molecular weight of 544.26 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[(2-methylquinolin-8-yl)oxy]gallane is sourced from PubChem (CID 59002282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).