6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline

C15H17NOS — CID 10658967

IUPAC6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline
SMILESCOc1ccc2c(c1)CCNC2(C)c1cccs1
InChIInChI=1S/C15H17NOS/c1-15(14-4-3-9-18-14)13-6-5-12(17-2)10-11(13)7-8-16-15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyCJZGBZSIABNDGX-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.17
Rot. Bonds2

About 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline

6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline (PubChem CID 10658967) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline
PubChem CID10658967
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline
SMILESCOc1ccc2c(c1)CCNC2(C)c1cccs1
InChIInChI=1S/C15H17NOS/c1-15(14-4-3-9-18-14)13-6-5-12(17-2)10-11(13)7-8-16-15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyCJZGBZSIABNDGX-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline 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

1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
CID 50915886
5-iodo-8-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 67206648
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
CID 168876558
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline
CID 134564811
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 115511086
6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 170992748
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
CID 124511846

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline (CID 10658967) is 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline is COc1ccc2c(c1)CCNC2(C)c1cccs1.
What is the InChIKey of 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline?
The InChIKey is CJZGBZSIABNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-15(14-4-3-9-18-14)13-6-5-12(17-2)10-11(13)7-8-16-15/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline?
6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline has a molecular weight of 259.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-1-thiophen-2-yl-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 10658967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).