7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline

C26H28N6S2 — CID 139772933

IUPAC7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
SMILESc1cc(SSc2ccnc3cc(N4CCNCC4)ccc23)c2ccc(N3CCNCC3)cc2n1
InChIInChI=1S/C26H28N6S2/c1-3-21-23(17-19(1)31-13-9-27-10-14-31)29-7-5-25(21)33-34-26-6-8-30-24-18-20(2-4-22(24)26)32-15-11-28-12-16-32/h1-8,17-18,27-28H,9-16H2
InChIKeyIZYIRMYFFFGHHD-UHFFFAOYSA-N
MW488.69 g/mol
LogP4.40
Rot. Bonds5

About 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline

7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline (PubChem CID 139772933) has the molecular formula C26H28N6S2 and a molecular weight of 488.69 g/mol. Its IUPAC name is 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline.

Molecular Properties

Compound Name7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
PubChem CID139772933
Molecular FormulaC26H28N6S2
Molecular Weight488.69 g/mol
Exact Mass488.18
IUPAC Name7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
SMILESc1cc(SSc2ccnc3cc(N4CCNCC4)ccc23)c2ccc(N3CCNCC3)cc2n1
InChIInChI=1S/C26H28N6S2/c1-3-21-23(17-19(1)31-13-9-27-10-14-31)29-7-5-25(21)33-34-26-6-8-30-24-18-20(2-4-22(24)26)32-15-11-28-12-16-32/h1-8,17-18,27-28H,9-16H2
InChIKeyIZYIRMYFFFGHHD-UHFFFAOYSA-N
XLogP4.40
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.69
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline?
The IUPAC name of 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline (CID 139772933) is 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline.
What is the SMILES notation for 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline?
The canonical SMILES for 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline is c1cc(SSc2ccnc3cc(N4CCNCC4)ccc23)c2ccc(N3CCNCC3)cc2n1.
What is the InChIKey of 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline?
The InChIKey is IZYIRMYFFFGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6S2/c1-3-21-23(17-19(1)31-13-9-27-10-14-31)29-7-5-25(21)33-34-26-6-8-30-24-18-20(2-4-22(24)26)32-15-11-28-12-16-32/h1-8,17-18,27-28H,9-16H2.
What are the key properties of 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline?
7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline has a molecular weight of 488.69 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline is sourced from PubChem (CID 139772933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).