2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline

C15H18N2O2S — CID 22573149

IUPAC2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline
SMILESCOc1cc2ncc(SC3CCCC3)nc2cc1OC
InChIInChI=1S/C15H18N2O2S/c1-18-13-7-11-12(8-14(13)19-2)17-15(9-16-11)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyZHAMQTUXCPUZFN-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.68
Rot. Bonds4

About 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline

2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline (PubChem CID 22573149) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline
PubChem CID22573149
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline
SMILESCOc1cc2ncc(SC3CCCC3)nc2cc1OC
InChIInChI=1S/C15H18N2O2S/c1-18-13-7-11-12(8-14(13)19-2)17-15(9-16-11)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyZHAMQTUXCPUZFN-UHFFFAOYSA-N
XLogP3.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline?
The IUPAC name of 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline (CID 22573149) is 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline.
What is the SMILES notation for 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline?
The canonical SMILES for 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline is COc1cc2ncc(SC3CCCC3)nc2cc1OC.
What is the InChIKey of 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline?
The InChIKey is ZHAMQTUXCPUZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-18-13-7-11-12(8-14(13)19-2)17-15(9-16-11)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline?
2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline has a molecular weight of 290.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-6,7-dimethoxyquinoxaline is sourced from PubChem (CID 22573149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).