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

C22H21CoN3O2 — CID 140680961

IUPAC2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.[Co]
InChIInChI=1S/C22H21N3O2.Co/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;
InChIKeyUCGNRNVSAYZXBG-UHFFFAOYSA-N
MW418.36 g/mol
LogP5.13
Rot. Bonds5

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

2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt (PubChem CID 140680961) has the molecular formula C22H21CoN3O2 and a molecular weight of 418.36 g/mol. Its IUPAC name is 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt.

Molecular Properties

Compound Name2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt
PubChem CID140680961
Molecular FormulaC22H21CoN3O2
Molecular Weight418.36 g/mol
Exact Mass418.10
IUPAC Name2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.[Co]
InChIInChI=1S/C22H21N3O2.Co/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;
InChIKeyUCGNRNVSAYZXBG-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 ≤ 500418.36
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt?
The IUPAC name of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt (CID 140680961) is 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt.
What is the SMILES notation for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt?
The canonical SMILES for 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt is CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.[Co].
What is the InChIKey of 2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt?
The InChIKey is UCGNRNVSAYZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.Co/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;cobalt?
2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol;cobalt has a molecular weight of 418.36 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;cobalt is sourced from PubChem (CID 140680961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).