7,8-dimethoxy-3-thiophen-2-ylisoquinoline

C15H13NO2S — CID 177380109

IUPAC7,8-dimethoxy-3-thiophen-2-ylisoquinoline
SMILESCOc1ccc2cc(-c3cccs3)ncc2c1OC
InChIInChI=1S/C15H13NO2S/c1-17-13-6-5-10-8-12(14-4-3-7-19-14)16-9-11(10)15(13)18-2/h3-9H,1-2H3
InChIKeyXCOOXYBDYNSJRV-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

About 7,8-dimethoxy-3-thiophen-2-ylisoquinoline

7,8-dimethoxy-3-thiophen-2-ylisoquinoline (PubChem CID 177380109) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 7,8-dimethoxy-3-thiophen-2-ylisoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-3-thiophen-2-ylisoquinoline
PubChem CID177380109
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name7,8-dimethoxy-3-thiophen-2-ylisoquinoline
SMILESCOc1ccc2cc(-c3cccs3)ncc2c1OC
InChIInChI=1S/C15H13NO2S/c1-17-13-6-5-10-8-12(14-4-3-7-19-14)16-9-11(10)15(13)18-2/h3-9H,1-2H3
InChIKeyXCOOXYBDYNSJRV-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 7,8-dimethoxy-3-thiophen-2-ylisoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 126673112
4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine
CID 75359777
6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
CID 15750360
6,7-dimethoxy-1-benzothiophene
CID 23321121
(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 137189891
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
CID 46845625
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
4-propan-2-yloxy-2-thiophen-2-ylpyridine
CID 58755657
2-thiophen-2-yl-7-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71708725
4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline
CID 58658908

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-thiophen-2-ylisoquinoline?
The IUPAC name of 7,8-dimethoxy-3-thiophen-2-ylisoquinoline (CID 177380109) is 7,8-dimethoxy-3-thiophen-2-ylisoquinoline.
What is the SMILES notation for 7,8-dimethoxy-3-thiophen-2-ylisoquinoline?
The canonical SMILES for 7,8-dimethoxy-3-thiophen-2-ylisoquinoline is COc1ccc2cc(-c3cccs3)ncc2c1OC.
What is the InChIKey of 7,8-dimethoxy-3-thiophen-2-ylisoquinoline?
The InChIKey is XCOOXYBDYNSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-13-6-5-10-8-12(14-4-3-7-19-14)16-9-11(10)15(13)18-2/h3-9H,1-2H3.
What are the key properties of 7,8-dimethoxy-3-thiophen-2-ylisoquinoline?
7,8-dimethoxy-3-thiophen-2-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 7,8-dimethoxy-3-thiophen-2-ylisoquinoline is sourced from PubChem (CID 177380109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).