6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

C22H21ClN4O2 — CID 3238871

IUPAC6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClN4O2/c23-18-8-6-17(7-9-18)20-10-11-21(28)27(24-20)16-22(29)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyRKUYOAYQZMQNPT-UHFFFAOYSA-N
MW408.89 g/mol
LogP2.91
Rot. Bonds4

About 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 3238871) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID3238871
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H21ClN4O2/c23-18-8-6-17(7-9-18)20-10-11-21(28)27(24-20)16-22(29)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyRKUYOAYQZMQNPT-UHFFFAOYSA-N
XLogP2.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 3238871) is 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is RKUYOAYQZMQNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-18-8-6-17(7-9-18)20-10-11-21(28)27(24-20)16-22(29)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-11H,12-16H2.
What are the key properties of 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 408.89 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 3238871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).