6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline

C20H23N5S — CID 130377123

IUPAC6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
SMILESCSc1ccc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1
InChIInChI=1S/C20H23N5S/c1-15(16-3-5-18-19(13-16)22-8-7-21-18)24-9-11-25(12-10-24)20-6-4-17(26-2)14-23-20/h3-8,13-15H,9-12H2,1-2H3
InChIKeyUFJFWSDOCQZOTA-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.63
Rot. Bonds4

About 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline

6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline (PubChem CID 130377123) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline.

Molecular Properties

Compound Name6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
PubChem CID130377123
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
SMILESCSc1ccc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1
InChIInChI=1S/C20H23N5S/c1-15(16-3-5-18-19(13-16)22-8-7-21-18)24-9-11-25(12-10-24)20-6-4-17(26-2)14-23-20/h3-8,13-15H,9-12H2,1-2H3
InChIKeyUFJFWSDOCQZOTA-UHFFFAOYSA-N
XLogP3.63
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline?
The IUPAC name of 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline (CID 130377123) is 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline.
What is the SMILES notation for 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline?
The canonical SMILES for 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline is CSc1ccc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1.
What is the InChIKey of 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline?
The InChIKey is UFJFWSDOCQZOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-15(16-3-5-18-19(13-16)22-8-7-21-18)24-9-11-25(12-10-24)20-6-4-17(26-2)14-23-20/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline?
6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline has a molecular weight of 365.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline is sourced from PubChem (CID 130377123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).