6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline

C21H17NO2S — CID 138975067

IUPAC6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline
SMILESCOc1ccc(-c2nc(-c3ccsc3)cc3cc(OC)ccc23)cc1
InChIInChI=1S/C21H17NO2S/c1-23-17-5-3-14(4-6-17)21-19-8-7-18(24-2)11-16(19)12-20(22-21)15-9-10-25-13-15/h3-13H,1-2H3
InChIKeyKIBWXPCCBIMJDR-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.65
Rot. Bonds4

About 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline

6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline (PubChem CID 138975067) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline
PubChem CID138975067
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline
SMILESCOc1ccc(-c2nc(-c3ccsc3)cc3cc(OC)ccc23)cc1
InChIInChI=1S/C21H17NO2S/c1-23-17-5-3-14(4-6-17)21-19-8-7-18(24-2)11-16(19)12-20(22-21)15-9-10-25-13-15/h3-13H,1-2H3
InChIKeyKIBWXPCCBIMJDR-UHFFFAOYSA-N
XLogP5.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-1-(4-methoxyphenyl)-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

Related Compounds

Moxaverine
CID 70882
6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
7-Methoxy-3-thiophen-3-yl-quinoline
CID 10331922
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-(2-thienyl)nicotinonitrile
CID 1315772
6,7-Dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline
CID 3717793
rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11530223
6,7-Dimethoxy-3-thiophen-3-ylisoquinoline
CID 25058227
1-(7-Methoxy-2-(thiophen-3-yl)quinolin-3-yl)-n-(4-methylbenzyl)methanamine
CID 52941356
2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200246
7-Methoxy-3-(3-thienyl)isoquinoline
CID 44142278
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 71570810

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline?
The IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline (CID 138975067) is 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline.
What is the SMILES notation for 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline?
The canonical SMILES for 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline is COc1ccc(-c2nc(-c3ccsc3)cc3cc(OC)ccc23)cc1.
What is the InChIKey of 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline?
The InChIKey is KIBWXPCCBIMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-23-17-5-3-14(4-6-17)21-19-8-7-18(24-2)11-16(19)12-20(22-21)15-9-10-25-13-15/h3-13H,1-2H3.
What are the key properties of 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline?
6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline has a molecular weight of 347.44 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methoxyphenyl)-3-thiophen-3-ylisoquinoline is sourced from PubChem (CID 138975067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).