(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone

C24H23NO5S2 — CID 23602497

About (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone

(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone (PubChem CID 23602497) has the molecular formula C24H23NO5S2 and a molecular weight of 469.58 g/mol. Its IUPAC name is (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone.

Molecular Properties

• Compound Name: (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone
• PubChem CID: 23602497
• Molecular Formula: C24H23NO5S2
• Molecular Weight: 469.58 g/mol
• Exact Mass: 469.10
• IUPAC Name: (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone
• SMILES: COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1S(=O)(=O)C3)CC2
• InChI: InChI=1S/C24H23NO5S2/c1-14-18-12-20(30-3)19(29-2)10-15(18)8-9-25(14)24(26)21-11-16-13-32(27,28)22-7-5-4-6-17(22)23(16)31-21/h4-7,10-12,14H,8-9,13H2,1-3H3
• InChIKey: RSQYBMWYQIQBLX-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 72.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.58
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone?

The IUPAC name of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone (CID 23602497) is (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone.

What is the SMILES notation for (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone?

The canonical SMILES for (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone is COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1S(=O)(=O)C3)CC2.

What is the InChIKey of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone?

The InChIKey is RSQYBMWYQIQBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S2/c1-14-18-12-20(30-3)19(29-2)10-15(18)8-9-25(14)24(26)21-11-16-13-32(27,28)22-7-5-4-6-17(22)23(16)31-21/h4-7,10-12,14H,8-9,13H2,1-3H3.

What are the key properties of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone?

(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone has a molecular weight of 469.58 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)methanone is sourced from PubChem (CID 23602497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).