bis(2-butylquinolin-8-ol);iron

C26H30FeN2O2 — CID 635173

IUPACbis(2-butylquinolin-8-ol);iron
SMILESCCCCc1ccc2cccc(O)c2n1.CCCCc1ccc2cccc(O)c2n1.[Fe]
InChIInChI=1S/2C13H15NO.Fe/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;
InChIKeyRFCDLYSHUGFXDM-UHFFFAOYSA-N
MW458.38 g/mol
LogP6.56
Rot. Bonds6

About bis(2-butylquinolin-8-ol);iron

bis(2-butylquinolin-8-ol);iron (PubChem CID 635173) has the molecular formula C26H30FeN2O2 and a molecular weight of 458.38 g/mol. Its IUPAC name is bis(2-butylquinolin-8-ol);iron.

Molecular Properties

Compound Namebis(2-butylquinolin-8-ol);iron
PubChem CID635173
Molecular FormulaC26H30FeN2O2
Molecular Weight458.38 g/mol
Exact Mass458.17
IUPAC Namebis(2-butylquinolin-8-ol);iron
SMILESCCCCc1ccc2cccc(O)c2n1.CCCCc1ccc2cccc(O)c2n1.[Fe]
InChIInChI=1S/2C13H15NO.Fe/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;
InChIKeyRFCDLYSHUGFXDM-UHFFFAOYSA-N
XLogP6.56
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.38
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Hydroxyquinoline sulfate
CID 517000
2-Methyl-8-hydroxyquinoline
CID 13224
2,2'-Disulfanediyldiquinolin-8-ol
CID 276707
Cunilate
CID 56840841
2-[(E)-2-(3-methoxyphenyl)ethenyl]quinolin-8-ol
CID 5731702
4-Acridinol, 9-amino-
CID 31631
4-Hydroxyacridine
CID 87462
GNF-Pf-3485
CID 2904976
2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 5837141
2-(4-Hydroxystyryl)quinolin-8-ol
CID 135500760
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977
2-[2-(4-Ethylphenyl)vinyl]-8-quinolinol
CID 5731645

Frequently Asked Questions

What is the IUPAC name of bis(2-butylquinolin-8-ol);iron?
The IUPAC name of bis(2-butylquinolin-8-ol);iron (CID 635173) is bis(2-butylquinolin-8-ol);iron.
What is the SMILES notation for bis(2-butylquinolin-8-ol);iron?
The canonical SMILES for bis(2-butylquinolin-8-ol);iron is CCCCc1ccc2cccc(O)c2n1.CCCCc1ccc2cccc(O)c2n1.[Fe].
What is the InChIKey of bis(2-butylquinolin-8-ol);iron?
The InChIKey is RFCDLYSHUGFXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15NO.Fe/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;.
What are the key properties of bis(2-butylquinolin-8-ol);iron?
bis(2-butylquinolin-8-ol);iron has a molecular weight of 458.38 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butylquinolin-8-ol);iron is sourced from PubChem (CID 635173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).