5,8-bis(5-methylthiophen-2-yl)quinoxaline

C18H14N2S2 — CID 58982512

IUPAC5,8-bis(5-methylthiophen-2-yl)quinoxaline
SMILESCc1ccc(-c2ccc(-c3ccc(C)s3)c3nccnc23)s1
InChIInChI=1S/C18H14N2S2/c1-11-3-7-15(21-11)13-5-6-14(16-8-4-12(2)22-16)18-17(13)19-9-10-20-18/h3-10H,1-2H3
InChIKeyMSEQEWMGGTXVLM-UHFFFAOYSA-N
MW322.46 g/mol
LogP5.70
Rot. Bonds2

About 5,8-bis(5-methylthiophen-2-yl)quinoxaline

5,8-bis(5-methylthiophen-2-yl)quinoxaline (PubChem CID 58982512) has the molecular formula C18H14N2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 5,8-bis(5-methylthiophen-2-yl)quinoxaline.

Molecular Properties

Compound Name5,8-bis(5-methylthiophen-2-yl)quinoxaline
PubChem CID58982512
Molecular FormulaC18H14N2S2
Molecular Weight322.46 g/mol
Exact Mass322.06
IUPAC Name5,8-bis(5-methylthiophen-2-yl)quinoxaline
SMILESCc1ccc(-c2ccc(-c3ccc(C)s3)c3nccnc23)s1
InChIInChI=1S/C18H14N2S2/c1-11-3-7-15(21-11)13-5-6-14(16-8-4-12(2)22-16)18-17(13)19-9-10-20-18/h3-10H,1-2H3
InChIKeyMSEQEWMGGTXVLM-UHFFFAOYSA-N
XLogP5.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.46
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-bis(5-methylthiophen-2-yl)quinoxaline?
The IUPAC name of 5,8-bis(5-methylthiophen-2-yl)quinoxaline (CID 58982512) is 5,8-bis(5-methylthiophen-2-yl)quinoxaline.
What is the SMILES notation for 5,8-bis(5-methylthiophen-2-yl)quinoxaline?
The canonical SMILES for 5,8-bis(5-methylthiophen-2-yl)quinoxaline is Cc1ccc(-c2ccc(-c3ccc(C)s3)c3nccnc23)s1.
What is the InChIKey of 5,8-bis(5-methylthiophen-2-yl)quinoxaline?
The InChIKey is MSEQEWMGGTXVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S2/c1-11-3-7-15(21-11)13-5-6-14(16-8-4-12(2)22-16)18-17(13)19-9-10-20-18/h3-10H,1-2H3.
What are the key properties of 5,8-bis(5-methylthiophen-2-yl)quinoxaline?
5,8-bis(5-methylthiophen-2-yl)quinoxaline has a molecular weight of 322.46 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(5-methylthiophen-2-yl)quinoxaline is sourced from PubChem (CID 58982512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).