2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

C18H20N4OS — CID 56778415

About 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (PubChem CID 56778415) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
• PubChem CID: 56778415
• Molecular Formula: C18H20N4OS
• Molecular Weight: 340.45 g/mol
• Exact Mass: 340.14
• IUPAC Name: 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
• SMILES: CCNc1cc2c(nn1)CCN(C(=O)C1Cc3ccccc3S1)C2
• InChI: InChI=1S/C18H20N4OS/c1-2-19-17-10-13-11-22(8-7-14(13)20-21-17)18(23)16-9-12-5-3-4-6-15(12)24-16/h3-6,10,16H,2,7-9,11H2,1H3,(H,19,21)
• InChIKey: VJNQGPCJXUMHTN-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.45
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?

The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (CID 56778415) is 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?

The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is CCNc1cc2c(nn1)CCN(C(=O)C1Cc3ccccc3S1)C2.

What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?

The InChIKey is VJNQGPCJXUMHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-19-17-10-13-11-22(8-7-14(13)20-21-17)18(23)16-9-12-5-3-4-6-15(12)24-16/h3-6,10,16H,2,7-9,11H2,1H3,(H,19,21).

What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone?

2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone is sourced from PubChem (CID 56778415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).