1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one

C20H23N3O4S — CID 9288707

About 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one

1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one (PubChem CID 9288707) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one
• PubChem CID: 9288707
• Molecular Formula: C20H23N3O4S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.14
• IUPAC Name: 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one
• SMILES: COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N1CCNC1=O)CC2
• InChI: InChI=1S/C20H23N3O4S/c1-26-15-10-13-5-7-22(12-18(24)23-8-6-21-20(23)25)19(17-4-3-9-28-17)14(13)11-16(15)27-2/h3-4,9-11,19H,5-8,12H2,1-2H3,(H,21,25)/t19-/m1/s1
• InChIKey: LINKIYFKXIOXIF-LJQANCHMSA-N
• XLogP: 2.26
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one (CID 9288707) is 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one.

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

The canonical SMILES for 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one is COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N1CCNC1=O)CC2.

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

The InChIKey is LINKIYFKXIOXIF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-26-15-10-13-5-7-22(12-18(24)23-8-6-21-20(23)25)19(17-4-3-9-28-17)14(13)11-16(15)27-2/h3-4,9-11,19H,5-8,12H2,1-2H3,(H,21,25)/t19-/m1/s1.

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

1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one has a molecular weight of 401.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9288707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).