(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

C29H25NO4S — CID 46095961

About (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 46095961) has the molecular formula C29H25NO4S and a molecular weight of 483.59 g/mol. Its IUPAC name is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

• Compound Name: (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
• PubChem CID: 46095961
• Molecular Formula: C29H25NO4S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.15
• IUPAC Name: (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
• SMILES: COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1cc3c(s1)-c1ccccc1OC3)CC2
• InChI: InChI=1S/C29H25NO4S/c1-32-24-14-19-12-13-30(27(18-8-4-3-5-9-18)22(19)16-25(24)33-2)29(31)26-15-20-17-34-23-11-7-6-10-21(23)28(20)35-26/h3-11,14-16,27H,12-13,17H2,1-2H3
• InChIKey: LVMTWGHWCWINBG-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 48.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 46095961) is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.

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

The canonical SMILES for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1cc3c(s1)-c1ccccc1OC3)CC2.

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

The InChIKey is LVMTWGHWCWINBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4S/c1-32-24-14-19-12-13-30(27(18-8-4-3-5-9-18)22(19)16-25(24)33-2)29(31)26-15-20-17-34-23-11-7-6-10-21(23)28(20)35-26/h3-11,14-16,27H,12-13,17H2,1-2H3.

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

(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 483.59 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 46095961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).