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

C44H42Cl2Co2N6O4 — CID 162122370

IUPACbis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.Cl[Co]Cl.[Co]
InChIInChI=1S/2C22H21N3O2.2ClH.2Co/c2*1-2-3-14-25(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;;;;/h2*4-13,26-27H,2-3,14H2,1H3;2*1H;;/q;;;;;+2/p-2
InChIKeyAWBNPWYTIKMXAH-UHFFFAOYSA-L
MW907.63 g/mol
LogP11.64
Rot. Bonds10

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

bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt (PubChem CID 162122370) has the molecular formula C44H42Cl2Co2N6O4 and a molecular weight of 907.63 g/mol. Its IUPAC name is bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt.

Molecular Properties

Compound Namebis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt
PubChem CID162122370
Molecular FormulaC44H42Cl2Co2N6O4
Molecular Weight907.63 g/mol
Exact Mass906.13
IUPAC Namebis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt
SMILESCCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.Cl[Co]Cl.[Co]
InChIInChI=1S/2C22H21N3O2.2ClH.2Co/c2*1-2-3-14-25(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;;;;/h2*4-13,26-27H,2-3,14H2,1H3;2*1H;;/q;;;;;+2/p-2
InChIKeyAWBNPWYTIKMXAH-UHFFFAOYSA-L
XLogP11.64
TPSA138.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.63
LogP ≤ 511.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt?
The IUPAC name of bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt (CID 162122370) is bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt.
What is the SMILES notation for bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt?
The canonical SMILES for bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt is CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1.Cl[Co]Cl.[Co].
What is the InChIKey of bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt?
The InChIKey is AWBNPWYTIKMXAH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H21N3O2.2ClH.2Co/c2*1-2-3-14-25(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;;;;/h2*4-13,26-27H,2-3,14H2,1H3;2*1H;;/q;;;;;+2/p-2.
What are the key properties of bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt?
bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt has a molecular weight of 907.63 g/mol, XLogP of 11.64, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol);cobalt;dichlorocobalt is sourced from PubChem (CID 162122370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).