bis[(2-butylquinolin-8-yl)oxy]tin

C26H28N2O2Sn — CID 16685852

IUPACbis[(2-butylquinolin-8-yl)oxy]tin
SMILESCCCCc1ccc2cccc(O[Sn]Oc3cccc4ccc(CCCC)nc34)c2n1
InChIInChI=1S/2C13H15NO.Sn/c2*1-2-3-6-11-9-8-10-5-4-7-12(15)13(10)14-11;/h2*4-5,7-9,15H,2-3,6H2,1H3;/q;;+2/p-2
InChIKeyLNCIWDKLLNILSO-UHFFFAOYSA-L
MW519.23 g/mol
LogP6.46
Rot. Bonds10

About bis[(2-butylquinolin-8-yl)oxy]tin

bis[(2-butylquinolin-8-yl)oxy]tin (PubChem CID 16685852) has the molecular formula C26H28N2O2Sn and a molecular weight of 519.23 g/mol. Its IUPAC name is bis[(2-butylquinolin-8-yl)oxy]tin.

Molecular Properties

Compound Namebis[(2-butylquinolin-8-yl)oxy]tin
PubChem CID16685852
Molecular FormulaC26H28N2O2Sn
Molecular Weight519.23 g/mol
Exact Mass520.12
IUPAC Namebis[(2-butylquinolin-8-yl)oxy]tin
SMILESCCCCc1ccc2cccc(O[Sn]Oc3cccc4ccc(CCCC)nc34)c2n1
InChIInChI=1S/2C13H15NO.Sn/c2*1-2-3-6-11-9-8-10-5-4-7-12(15)13(10)14-11;/h2*4-5,7-9,15H,2-3,6H2,1H3;/q;;+2/p-2
InChIKeyLNCIWDKLLNILSO-UHFFFAOYSA-L
XLogP6.46
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.23
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxine-copper
CID 3032555
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
4-Hydroxyacridine
CID 87462
2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 5837141
2-(6-methoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl)phenyl methyl ether
CID 3758900
2-[2-(4-Ethylphenyl)vinyl]-8-quinolinol
CID 5731645
4-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-ol
CID 44366636
2-Methyl-4-[methyl-(9-methylcarbazol-3-yl)amino]quinolin-8-ol
CID 149479733
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198

Frequently Asked Questions

What is the IUPAC name of bis[(2-butylquinolin-8-yl)oxy]tin?
The IUPAC name of bis[(2-butylquinolin-8-yl)oxy]tin (CID 16685852) is bis[(2-butylquinolin-8-yl)oxy]tin.
What is the SMILES notation for bis[(2-butylquinolin-8-yl)oxy]tin?
The canonical SMILES for bis[(2-butylquinolin-8-yl)oxy]tin is CCCCc1ccc2cccc(O[Sn]Oc3cccc4ccc(CCCC)nc34)c2n1.
What is the InChIKey of bis[(2-butylquinolin-8-yl)oxy]tin?
The InChIKey is LNCIWDKLLNILSO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H15NO.Sn/c2*1-2-3-6-11-9-8-10-5-4-7-12(15)13(10)14-11;/h2*4-5,7-9,15H,2-3,6H2,1H3;/q;;+2/p-2.
What are the key properties of bis[(2-butylquinolin-8-yl)oxy]tin?
bis[(2-butylquinolin-8-yl)oxy]tin has a molecular weight of 519.23 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-butylquinolin-8-yl)oxy]tin is sourced from PubChem (CID 16685852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).