4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C21H19ClN4O2 — CID 3700021

IUPAC4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C21H19ClN4O2/c22-17-8-6-16(7-9-17)21(28)26-12-10-25(11-13-26)18-14-19(27)23-24-20(18)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,27)
InChIKeyAVLHVBIGPHXKLW-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.05
Rot. Bonds3

About 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 3700021) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID3700021
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C21H19ClN4O2/c22-17-8-6-16(7-9-17)21(28)26-12-10-25(11-13-26)18-14-19(27)23-24-20(18)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,27)
InChIKeyAVLHVBIGPHXKLW-UHFFFAOYSA-N
XLogP3.05
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1(2H)-Phthalazinone, 4-(p-chlorobenzyl)-2-(2-(dimethylamino)ethyl)-, hydrochloride
CID 203096
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](4-methylphenyl)methanone
CID 1486796
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
(4-chlorophenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484237
3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)-N-morpholinopropanamide
CID 1888739
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2097136
3-[4-(4-Chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 2196909
6-phenyl-5-{4-[3-(trifluoromethyl)benzoyl]piperazino}-3(2H)-pyridazinone
CID 3457312
5-[4-(4-fluorobenzoyl)piperazino]-6-phenyl-3(2H)-pyridazinone
CID 3781100
4-chloro-N-{2-oxo-2-[(2E)-2-(1-phenylbutylidene)hydrazino]ethyl}benzamide
CID 9599141
2-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-N,N-diethylacetamide
CID 1303060
N-[(4-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2440339

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 3700021) is 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is O=C(c1ccc(Cl)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is AVLHVBIGPHXKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-8-6-16(7-9-17)21(28)26-12-10-25(11-13-26)18-14-19(27)23-24-20(18)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,23,27).
What are the key properties of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 394.86 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 3700021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).