4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C19H19NOS — CID 68994251

IUPAC4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2sc(C3CN(C)Cc4ccccc43)cc12
InChIInChI=1S/C19H19NOS/c1-20-11-13-6-3-4-7-14(13)16(12-20)19-10-15-17(21-2)8-5-9-18(15)22-19/h3-10,16H,11-12H2,1-2H3
InChIKeyCAYIUPJUVUEBHI-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.49
Rot. Bonds2

About 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68994251) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68994251
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2sc(C3CN(C)Cc4ccccc43)cc12
InChIInChI=1S/C19H19NOS/c1-20-11-13-6-3-4-7-14(13)16(12-20)19-10-15-17(21-2)8-5-9-18(15)22-19/h3-10,16H,11-12H2,1-2H3
InChIKeyCAYIUPJUVUEBHI-UHFFFAOYSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline 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 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68994251) is 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is COc1cccc2sc(C3CN(C)Cc4ccccc43)cc12.
What is the InChIKey of 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CAYIUPJUVUEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-20-11-13-6-3-4-7-14(13)16(12-20)19-10-15-17(21-2)8-5-9-18(15)22-19/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 309.43 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68994251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).