3-thiophen-3-ylquinoline

C13H9NS — CID 10242258

IUPAC3-thiophen-3-ylquinoline
SMILESc1ccc2ncc(-c3ccsc3)cc2c1
InChIInChI=1S/C13H9NS/c1-2-4-13-10(3-1)7-12(8-14-13)11-5-6-15-9-11/h1-9H
InChIKeyZWOOWBWBVMAYGL-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.96
Rot. Bonds1

About 3-thiophen-3-ylquinoline

3-thiophen-3-ylquinoline (PubChem CID 10242258) has the molecular formula C13H9NS and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-thiophen-3-ylquinoline.

Molecular Properties

Compound Name3-thiophen-3-ylquinoline
PubChem CID10242258
Molecular FormulaC13H9NS
Molecular Weight211.29 g/mol
Exact Mass211.05
IUPAC Name3-thiophen-3-ylquinoline
SMILESc1ccc2ncc(-c3ccsc3)cc2c1
InChIInChI=1S/C13H9NS/c1-2-4-13-10(3-1)7-12(8-14-13)11-5-6-15-9-11/h1-9H
InChIKeyZWOOWBWBVMAYGL-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylquinoline?
The IUPAC name of 3-thiophen-3-ylquinoline (CID 10242258) is 3-thiophen-3-ylquinoline.
What is the SMILES notation for 3-thiophen-3-ylquinoline?
The canonical SMILES for 3-thiophen-3-ylquinoline is c1ccc2ncc(-c3ccsc3)cc2c1.
What is the InChIKey of 3-thiophen-3-ylquinoline?
The InChIKey is ZWOOWBWBVMAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS/c1-2-4-13-10(3-1)7-12(8-14-13)11-5-6-15-9-11/h1-9H.
What are the key properties of 3-thiophen-3-ylquinoline?
3-thiophen-3-ylquinoline has a molecular weight of 211.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylquinoline is sourced from PubChem (CID 10242258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).