5,8-dimethyl-3-thiophen-3-ylquinoline

C15H13NS — CID 10421743

IUPAC5,8-dimethyl-3-thiophen-3-ylquinoline
SMILESCc1ccc(C)c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C15H13NS/c1-10-3-4-11(2)15-14(10)7-13(8-16-15)12-5-6-17-9-12/h3-9H,1-2H3
InChIKeyJJQORFFMMXHMKH-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.58
Rot. Bonds1

About 5,8-dimethyl-3-thiophen-3-ylquinoline

5,8-dimethyl-3-thiophen-3-ylquinoline (PubChem CID 10421743) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5,8-dimethyl-3-thiophen-3-ylquinoline.

Molecular Properties

Compound Name5,8-dimethyl-3-thiophen-3-ylquinoline
PubChem CID10421743
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name5,8-dimethyl-3-thiophen-3-ylquinoline
SMILESCc1ccc(C)c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C15H13NS/c1-10-3-4-11(2)15-14(10)7-13(8-16-15)12-5-6-17-9-12/h3-9H,1-2H3
InChIKeyJJQORFFMMXHMKH-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-thiophen-3-ylquinoline?
The IUPAC name of 5,8-dimethyl-3-thiophen-3-ylquinoline (CID 10421743) is 5,8-dimethyl-3-thiophen-3-ylquinoline.
What is the SMILES notation for 5,8-dimethyl-3-thiophen-3-ylquinoline?
The canonical SMILES for 5,8-dimethyl-3-thiophen-3-ylquinoline is Cc1ccc(C)c2ncc(-c3ccsc3)cc12.
What is the InChIKey of 5,8-dimethyl-3-thiophen-3-ylquinoline?
The InChIKey is JJQORFFMMXHMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-10-3-4-11(2)15-14(10)7-13(8-16-15)12-5-6-17-9-12/h3-9H,1-2H3.
What are the key properties of 5,8-dimethyl-3-thiophen-3-ylquinoline?
5,8-dimethyl-3-thiophen-3-ylquinoline has a molecular weight of 239.34 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-thiophen-3-ylquinoline is sourced from PubChem (CID 10421743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).