2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc

C22H21N3O2Zn — CID 20688269

IUPAC2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.[Zn]
InChIInChI=1S/C22H21N3O2.Zn/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20;/h4-13,26-27H,2-3,14H2,1H3;
InChIKeyFWYFOZMHEDGKII-UHFFFAOYSA-N
MW424.82 g/mol
LogP5.13
Rot. Bonds5

About 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc

2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc (PubChem CID 20688269) has the molecular formula C22H21N3O2Zn and a molecular weight of 424.82 g/mol. Its IUPAC name is 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc.

Molecular Properties

Compound Name2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc
PubChem CID20688269
Molecular FormulaC22H21N3O2Zn
Molecular Weight424.82 g/mol
Exact Mass423.09
IUPAC Name2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.[Zn]
InChIInChI=1S/C22H21N3O2.Zn/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20;/h4-13,26-27H,2-3,14H2,1H3;
InChIKeyFWYFOZMHEDGKII-UHFFFAOYSA-N
XLogP5.13
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc?
The IUPAC name of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc (CID 20688269) is 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc.
What is the SMILES notation for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc?
The canonical SMILES for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc is CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.[Zn].
What is the InChIKey of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc?
The InChIKey is FWYFOZMHEDGKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.Zn/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20;/h4-13,26-27H,2-3,14H2,1H3;.
What are the key properties of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc?
2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc has a molecular weight of 424.82 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;zinc is sourced from PubChem (CID 20688269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).