6,7-dimethoxy-3-thiophen-3-ylisoquinoline

C15H13NO2S — CID 25058227

IUPAC6,7-dimethoxy-3-thiophen-3-ylisoquinoline
SMILESCOc1cc2cnc(-c3ccsc3)cc2cc1OC
InChIInChI=1S/C15H13NO2S/c1-17-14-6-11-5-13(10-3-4-19-9-10)16-8-12(11)7-15(14)18-2/h3-9H,1-2H3
InChIKeyNUOBWCABIGNFNQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

About 6,7-dimethoxy-3-thiophen-3-ylisoquinoline

6,7-dimethoxy-3-thiophen-3-ylisoquinoline (PubChem CID 25058227) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6,7-dimethoxy-3-thiophen-3-ylisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-thiophen-3-ylisoquinoline
PubChem CID25058227
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6,7-dimethoxy-3-thiophen-3-ylisoquinoline
SMILESCOc1cc2cnc(-c3ccsc3)cc2cc1OC
InChIInChI=1S/C15H13NO2S/c1-17-14-6-11-5-13(10-3-4-19-9-10)16-8-12(11)7-15(14)18-2/h3-9H,1-2H3
InChIKeyNUOBWCABIGNFNQ-UHFFFAOYSA-N
XLogP3.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-3-thiophen-3-ylisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-thiophen-3-ylisoquinoline?
The IUPAC name of 6,7-dimethoxy-3-thiophen-3-ylisoquinoline (CID 25058227) is 6,7-dimethoxy-3-thiophen-3-ylisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3-thiophen-3-ylisoquinoline?
The canonical SMILES for 6,7-dimethoxy-3-thiophen-3-ylisoquinoline is COc1cc2cnc(-c3ccsc3)cc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-thiophen-3-ylisoquinoline?
The InChIKey is NUOBWCABIGNFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-14-6-11-5-13(10-3-4-19-9-10)16-8-12(11)7-15(14)18-2/h3-9H,1-2H3.
What are the key properties of 6,7-dimethoxy-3-thiophen-3-ylisoquinoline?
6,7-dimethoxy-3-thiophen-3-ylisoquinoline has a molecular weight of 271.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-thiophen-3-ylisoquinoline is sourced from PubChem (CID 25058227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).