6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one

C23H23ClN4O2 — CID 53081736

IUPAC6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2=O)cc1C
InChIInChI=1S/C23H23ClN4O2/c1-16-6-7-20(14-17(16)2)28-22(29)9-8-21(25-28)26-10-12-27(13-11-26)23(30)18-4-3-5-19(24)15-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyKHHBCINFZIVDEQ-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.47
Rot. Bonds3

About 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one

6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one (PubChem CID 53081736) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
PubChem CID53081736
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2=O)cc1C
InChIInChI=1S/C23H23ClN4O2/c1-16-6-7-20(14-17(16)2)28-22(29)9-8-21(25-28)26-10-12-27(13-11-26)23(30)18-4-3-5-19(24)15-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyKHHBCINFZIVDEQ-UHFFFAOYSA-N
XLogP3.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081733
2-(3,4-dimethylphenyl)-6-[4-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081370
6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081763
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
2-(3,4-dimethylphenyl)-6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081364
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
2-(3,4-dimethylphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081750
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081698
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
2-(4-chlorophenyl)-6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridazin-3-one
CID 53081894

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one (CID 53081736) is 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one is Cc1ccc(-n2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2=O)cc1C.
What is the InChIKey of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The InChIKey is KHHBCINFZIVDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-16-6-7-20(14-17(16)2)28-22(29)9-8-21(25-28)26-10-12-27(13-11-26)23(30)18-4-3-5-19(24)15-18/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one has a molecular weight of 422.92 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 53081736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).