6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline

C13H13NS — CID 23004941

IUPAC6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(c2)CCCN3)cs1
InChIInChI=1S/C13H13NS/c1-2-11-8-10(12-5-7-15-9-12)3-4-13(11)14-6-1/h3-5,7-9,14H,1-2,6H2
InChIKeyUFSVTQJUWPZONS-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.77
Rot. Bonds1

About 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline

6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 23004941) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
PubChem CID23004941
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(c2)CCCN3)cs1
InChIInChI=1S/C13H13NS/c1-2-11-8-10(12-5-7-15-9-12)3-4-13(11)14-6-1/h3-5,7-9,14H,1-2,6H2
InChIKeyUFSVTQJUWPZONS-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline (CID 23004941) is 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline is c1cc(-c2ccc3c(c2)CCCN3)cs1.
What is the InChIKey of 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is UFSVTQJUWPZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-2-11-8-10(12-5-7-15-9-12)3-4-13(11)14-6-1/h3-5,7-9,14H,1-2,6H2.
What are the key properties of 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline?
6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 215.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 23004941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).