4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one

C22H22Cl2N4O2 — CID 25378017

IUPAC4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccccc3)CC2)cnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O2/c23-17-6-8-19(9-7-17)30-15-14-28-22(29)21(24)20(16-25-28)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-9,16H,10-15H2
InChIKeyJOZPGCHDSNNJJO-UHFFFAOYSA-N
MW445.35 g/mol
LogP3.96
Rot. Bonds6

About 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one

4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one (PubChem CID 25378017) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
PubChem CID25378017
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccccc3)CC2)cnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O2/c23-17-6-8-19(9-7-17)30-15-14-28-22(29)21(24)20(16-25-28)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-9,16H,10-15H2
InChIKeyJOZPGCHDSNNJJO-UHFFFAOYSA-N
XLogP3.96
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one (CID 25378017) is 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one is O=c1c(Cl)c(N2CCN(c3ccccc3)CC2)cnn1CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is JOZPGCHDSNNJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c23-17-6-8-19(9-7-17)30-15-14-28-22(29)21(24)20(16-25-28)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-9,16H,10-15H2.
What are the key properties of 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one?
4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 445.35 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(4-chlorophenoxy)ethyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 25378017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).