2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C20H20N4O2S — CID 53074129

About 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 53074129) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 53074129
• Molecular Formula: C20H20N4O2S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.13
• IUPAC Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
• SMILES: O=C(CSc1ccc(N2CCc3ccccc3C2)nn1)NCc1ccco1
• InChI: InChI=1S/C20H20N4O2S/c25-19(21-12-17-6-3-11-26-17)14-27-20-8-7-18(22-23-20)24-10-9-15-4-1-2-5-16(15)13-24/h1-8,11H,9-10,12-14H2,(H,21,25)
• InChIKey: ZTWLVZRGZPJGAL-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 53074129) is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ccc(N2CCc3ccccc3C2)nn1)NCc1ccco1.

What is the InChIKey of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?

The InChIKey is ZTWLVZRGZPJGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(21-12-17-6-3-11-26-17)14-27-20-8-7-18(22-23-20)24-10-9-15-4-1-2-5-16(15)13-24/h1-8,11H,9-10,12-14H2,(H,21,25).

What are the key properties of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53074129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).