2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one

C23H23ClN4O3 — CID 53081791

IUPAC2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCOc1cccc(CC(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1
InChIInChI=1S/C23H23ClN4O3/c1-31-20-7-2-4-17(14-20)15-23(30)27-12-10-26(11-13-27)21-8-9-22(29)28(25-21)19-6-3-5-18(24)16-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyFFRSGHVZMLZTLA-UHFFFAOYSA-N
MW438.92 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one

2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 53081791) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one
PubChem CID53081791
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCOc1cccc(CC(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1
InChIInChI=1S/C23H23ClN4O3/c1-31-20-7-2-4-17(14-20)15-23(30)27-12-10-26(11-13-27)21-8-9-22(29)28(25-21)19-6-3-5-18(24)16-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyFFRSGHVZMLZTLA-UHFFFAOYSA-N
XLogP2.79
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684
6-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081452
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46469565
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one (CID 53081791) is 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one is COc1cccc(CC(=O)N2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is FFRSGHVZMLZTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-31-20-7-2-4-17(14-20)15-23(30)27-12-10-26(11-13-27)21-8-9-22(29)28(25-21)19-6-3-5-18(24)16-19/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one?
2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 438.92 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53081791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).