2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C21H20Cl2N4O2 — CID 4672455

IUPAC2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccc(Cl)cc2)C(=O)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20Cl2N4O2/c22-15-1-5-17(6-2-15)25-11-13-26(14-12-25)21(29)19-9-10-20(28)27(24-19)18-7-3-16(23)4-8-18/h1-8H,9-14H2
InChIKeyIKKLWPACUJSNIT-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 4672455) has the molecular formula C21H20Cl2N4O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID4672455
Molecular FormulaC21H20Cl2N4O2
Molecular Weight431.32 g/mol
Exact Mass430.10
IUPAC Name2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccc(Cl)cc2)C(=O)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20Cl2N4O2/c22-15-1-5-17(6-2-15)25-11-13-26(14-12-25)21(29)19-9-10-20(28)27(24-19)18-7-3-16(23)4-8-18/h1-8H,9-14H2
InChIKeyIKKLWPACUJSNIT-UHFFFAOYSA-N
XLogP3.83
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289
2-(3-chloro-4-methylphenyl)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 16961764
2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3931520
6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3668110
2-(4-bromophenyl)-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 3807313
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 53499713
2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4653504
2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3832897
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
1-(4-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577
4-hydroxy-1-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 119250734

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 4672455) is 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is O=C(C1=NN(c2ccc(Cl)cc2)C(=O)CC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is IKKLWPACUJSNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O2/c22-15-1-5-17(6-2-15)25-11-13-26(14-12-25)21(29)19-9-10-20(28)27(24-19)18-7-3-16(23)4-8-18/h1-8H,9-14H2.
What are the key properties of 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 431.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 4672455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).