(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone

C27H25NO5S — CID 43007278

About (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone

(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 43007278) has the molecular formula C27H25NO5S and a molecular weight of 475.57 g/mol. Its IUPAC name is (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

• Compound Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
• PubChem CID: 43007278
• Molecular Formula: C27H25NO5S
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.15
• IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
• SMILES: COc1cc2c(cc1OC)C(c1cccs1)N(C(=O)c1ccc(COc3ccccc3)o1)CC2
• InChI: InChI=1S/C27H25NO5S/c1-30-23-15-18-12-13-28(26(25-9-6-14-34-25)21(18)16-24(23)31-2)27(29)22-11-10-20(33-22)17-32-19-7-4-3-5-8-19/h3-11,14-16,26H,12-13,17H2,1-2H3
• InChIKey: IWWDVZSCWOZXQI-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 61.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	5.73
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)-[5-(phenoxymethyl)furan-2-yl]methanone?

The IUPAC name of (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone (CID 43007278) is (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone.

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

The canonical SMILES for (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone is COc1cc2c(cc1OC)C(c1cccs1)N(C(=O)c1ccc(COc3ccccc3)o1)CC2.

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

The InChIKey is IWWDVZSCWOZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5S/c1-30-23-15-18-12-13-28(26(25-9-6-14-34-25)21(18)16-24(23)31-2)27(29)22-11-10-20(33-22)17-32-19-7-4-3-5-8-19/h3-11,14-16,26H,12-13,17H2,1-2H3.

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

(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 475.57 g/mol, XLogP of 5.73, 7 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)-[5-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 43007278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).