6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one

C24H28N4O2 — CID 2021300

IUPAC6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccccc1N1NC(C(=O)N2CCN(c3cccc(C)c3C)CC2)=CCC1=O
InChIInChI=1S/C24H28N4O2/c1-17-8-6-10-22(19(17)3)26-13-15-27(16-14-26)24(30)20-11-12-23(29)28(25-20)21-9-5-4-7-18(21)2/h4-11,25H,12-16H2,1-3H3
InChIKeyPRBYOWVMPFKSKG-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.09
Rot. Bonds3

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

6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one (PubChem CID 2021300) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
PubChem CID2021300
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccccc1N1NC(C(=O)N2CCN(c3cccc(C)c3C)CC2)=CCC1=O
InChIInChI=1S/C24H28N4O2/c1-17-8-6-10-22(19(17)3)26-13-15-27(16-14-26)24(30)20-11-12-23(29)28(25-20)21-9-5-4-7-18(21)2/h4-11,25H,12-16H2,1-3H3
InChIKeyPRBYOWVMPFKSKG-UHFFFAOYSA-N
XLogP3.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524
6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2028193
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2018085
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136832045
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
CID 51113389
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2009642
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one (CID 2021300) is 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one is Cc1ccccc1N1NC(C(=O)N2CCN(c3cccc(C)c3C)CC2)=CCC1=O.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The InChIKey is PRBYOWVMPFKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-8-6-10-22(19(17)3)26-13-15-27(16-14-26)24(30)20-11-12-23(29)28(25-20)21-9-5-4-7-18(21)2/h4-11,25H,12-16H2,1-3H3.
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one has a molecular weight of 404.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2021300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).