5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one

C20H24N2O3S — CID 17485781

About 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one

5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 17485781) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one
• PubChem CID: 17485781
• Molecular Formula: C20H24N2O3S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.15
• IUPAC Name: 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one
• SMILES: COc1cc2c(cc1OC)C(c1cccs1)N(CC1CCC(=O)N1)CC2
• InChI: InChI=1S/C20H24N2O3S/c1-24-16-10-13-7-8-22(12-14-5-6-19(23)21-14)20(18-4-3-9-26-18)15(13)11-17(16)25-2/h3-4,9-11,14,20H,5-8,12H2,1-2H3,(H,21,23)
• InChIKey: BRWWZUAPCDKTDE-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one?

The IUPAC name of 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one (CID 17485781) is 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one.

What is the SMILES notation for 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one?

The canonical SMILES for 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one is COc1cc2c(cc1OC)C(c1cccs1)N(CC1CCC(=O)N1)CC2.

What is the InChIKey of 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one?

The InChIKey is BRWWZUAPCDKTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-24-16-10-13-7-8-22(12-14-5-6-19(23)21-14)20(18-4-3-9-26-18)15(13)11-17(16)25-2/h3-4,9-11,14,20H,5-8,12H2,1-2H3,(H,21,23).

What are the key properties of 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one?

5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 372.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 17485781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).