6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one

C22H23ClN4O2 — CID 3662289

About 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one

6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 3662289) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

• Compound Name: 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
• PubChem CID: 3662289
• Molecular Formula: C22H23ClN4O2
• Molecular Weight: 410.91 g/mol
• Exact Mass: 410.15
• IUPAC Name: 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
• SMILES: Cc1ccc(N2N=C(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CCC2=O)cc1
• InChI: InChI=1S/C22H23ClN4O2/c1-16-5-7-18(8-6-16)27-21(28)10-9-20(24-27)22(29)26-13-11-25(12-14-26)19-4-2-3-17(23)15-19/h2-8,15H,9-14H2,1H3
• InChIKey: BJPMRFSEMXOIIQ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 56.22 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.91
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?

The IUPAC name of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one (CID 3662289) is 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one.

What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?

The canonical SMILES for 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1ccc(N2N=C(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CCC2=O)cc1.

What is the InChIKey of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?

The InChIKey is BJPMRFSEMXOIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-16-5-7-18(8-6-16)27-21(28)10-9-20(24-27)22(29)26-13-11-25(12-14-26)19-4-2-3-17(23)15-19/h2-8,15H,9-14H2,1H3.

What are the key properties of 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?

6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 410.91 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3662289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).