6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline

C15H17NO2S — CID 2997669

IUPAC6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccs1)NCC2
InChIInChI=1S/C15H17NO2S/c1-17-12-8-10-5-6-16-15(14-4-3-7-19-14)11(10)9-13(12)18-2/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyGLXRHRXCWKOJAR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.00
Rot. Bonds3

About 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 2997669) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID2997669
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccs1)NCC2
InChIInChI=1S/C15H17NO2S/c1-17-12-8-10-5-6-16-15(14-4-3-7-19-14)11(10)9-13(12)18-2/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyGLXRHRXCWKOJAR-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 2997669) is 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(c1cccs1)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GLXRHRXCWKOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-17-12-8-10-5-6-16-15(14-4-3-7-19-14)11(10)9-13(12)18-2/h3-4,7-9,15-16H,5-6H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 275.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 2997669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).