1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

C19H25N3O4 — CID 110628321

About 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 110628321) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
• PubChem CID: 110628321
• Molecular Formula: C19H25N3O4
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.18
• IUPAC Name: 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
• SMILES: COc1cc2c(cc1OC)C(C(C)C)N(C(=O)Cc1noc(C)n1)CC2
• InChI: InChI=1S/C19H25N3O4/c1-11(2)19-14-9-16(25-5)15(24-4)8-13(14)6-7-22(19)18(23)10-17-20-12(3)26-21-17/h8-9,11,19H,6-7,10H2,1-5H3
• InChIKey: JPRREAJRCPKTHD-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?

The IUPAC name of 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (CID 110628321) is 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.

What is the SMILES notation for 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?

The canonical SMILES for 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is COc1cc2c(cc1OC)C(C(C)C)N(C(=O)Cc1noc(C)n1)CC2.

What is the InChIKey of 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?

The InChIKey is JPRREAJRCPKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-11(2)19-14-9-16(25-5)15(24-4)8-13(14)6-7-22(19)18(23)10-17-20-12(3)26-21-17/h8-9,11,19H,6-7,10H2,1-5H3.

What are the key properties of 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?

1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 359.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110628321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).