2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one

C23H25ClN4O3 — CID 20968542

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C(=O)CC2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-31-20-7-5-17(6-8-20)21-9-10-22(29)28(25-21)16-23(30)27-13-11-26(12-14-27)19-4-2-3-18(24)15-19/h2-8,15H,9-14,16H2,1H3
InChIKeyINGLKEMIGHSMCN-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.02
Rot. Bonds5

About 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 20968542) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
PubChem CID20968542
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C(=O)CC2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-31-20-7-5-17(6-8-20)21-9-10-22(29)28(25-21)16-23(30)27-13-11-26(12-14-27)19-4-2-3-18(24)15-19/h2-8,15H,9-14,16H2,1H3
InChIKeyINGLKEMIGHSMCN-UHFFFAOYSA-N
XLogP3.02
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one (CID 20968542) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C(=O)CC2)cc1.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is INGLKEMIGHSMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-31-20-7-5-17(6-8-20)21-9-10-22(29)28(25-21)16-23(30)27-13-11-26(12-14-27)19-4-2-3-18(24)15-19/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 440.93 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 20968542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).