6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one

C20H23N3O4 — CID 122278526

About 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one

6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 122278526) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one
• PubChem CID: 122278526
• Molecular Formula: C20H23N3O4
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.17
• IUPAC Name: 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one
• SMILES: COc1cc2c(cc1OC)CN(C(=O)Cn1nc(C3CC3)ccc1=O)CC2
• InChI: InChI=1S/C20H23N3O4/c1-26-17-9-14-7-8-22(11-15(14)10-18(17)27-2)20(25)12-23-19(24)6-5-16(21-23)13-3-4-13/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
• InChIKey: XLLGWRKUUQYTKL-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 73.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one?

The IUPAC name of 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one (CID 122278526) is 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one.

What is the SMILES notation for 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one?

The canonical SMILES for 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one is COc1cc2c(cc1OC)CN(C(=O)Cn1nc(C3CC3)ccc1=O)CC2.

What is the InChIKey of 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one?

The InChIKey is XLLGWRKUUQYTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-9-14-7-8-22(11-15(14)10-18(17)27-2)20(25)12-23-19(24)6-5-16(21-23)13-3-4-13/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3.

What are the key properties of 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one?

6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 369.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122278526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).