(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone

C27H26N2O4S — CID 46677389

About (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone

(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone (PubChem CID 46677389) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone.

Molecular Properties

• Compound Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone
• PubChem CID: 46677389
• Molecular Formula: C27H26N2O4S
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.16
• IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone
• SMILES: COc1ccc2nc(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3c3cccs3)cc2c1
• InChI: InChI=1S/C27H26N2O4S/c1-16-20(13-18-12-19(31-2)7-8-22(18)28-16)27(30)29-10-9-17-14-23(32-3)24(33-4)15-21(17)26(29)25-6-5-11-34-25/h5-8,11-15,26H,9-10H2,1-4H3
• InChIKey: IWKWBOXFFQCQQG-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone?

The IUPAC name of (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone (CID 46677389) is (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone.

What is the SMILES notation for (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone?

The canonical SMILES for (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone is COc1ccc2nc(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3c3cccs3)cc2c1.

What is the InChIKey of (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone?

The InChIKey is IWKWBOXFFQCQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-16-20(13-18-12-19(31-2)7-8-22(18)28-16)27(30)29-10-9-17-14-23(32-3)24(33-4)15-21(17)26(29)25-6-5-11-34-25/h5-8,11-15,26H,9-10H2,1-4H3.

What are the key properties of (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone?

(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone has a molecular weight of 474.58 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-2-methylquinolin-3-yl)methanone is sourced from PubChem (CID 46677389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).