2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one

C24H24Cl2N4O4 — CID 121052281

IUPAC2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)c1
InChIInChI=1S/C24H24Cl2N4O4/c1-33-17-4-7-22(34-2)18(14-17)21-6-8-23(31)30(27-21)15-24(32)29-11-9-28(10-12-29)16-3-5-19(25)20(26)13-16/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyLAQGLUNIFVXHFR-UHFFFAOYSA-N
MW503.39 g/mol
LogP3.58
Rot. Bonds6

About 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one

2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 121052281) has the molecular formula C24H24Cl2N4O4 and a molecular weight of 503.39 g/mol. Its IUPAC name is 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID121052281
Molecular FormulaC24H24Cl2N4O4
Molecular Weight503.39 g/mol
Exact Mass502.12
IUPAC Name2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)c1
InChIInChI=1S/C24H24Cl2N4O4/c1-33-17-4-7-22(34-2)18(14-17)21-6-8-23(31)30(27-21)15-24(32)29-11-9-28(10-12-29)16-3-5-19(25)20(26)13-16/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyLAQGLUNIFVXHFR-UHFFFAOYSA-N
XLogP3.58
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one with MolForge

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Related Compounds

6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
2-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 121050754
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063
6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7666598
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 121050347
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one (CID 121052281) is 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one is COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)c1.
What is the InChIKey of 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is LAQGLUNIFVXHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O4/c1-33-17-4-7-22(34-2)18(14-17)21-6-8-23(31)30(27-21)15-24(32)29-11-9-28(10-12-29)16-3-5-19(25)20(26)13-16/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 503.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 121052281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).