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

C23H26N4O3 — CID 2028193

IUPAC6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCOc1cccc(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4C)N3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-17-6-3-4-9-21(17)27-22(28)11-10-20(24-27)23(29)26-14-12-25(13-15-26)18-7-5-8-19(16-18)30-2/h3-10,16,24H,11-15H2,1-2H3
InChIKeyZRCHVTQWYDSBQU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.48
Rot. Bonds4

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

6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one (PubChem CID 2028193) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
PubChem CID2028193
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCOc1cccc(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4C)N3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-17-6-3-4-9-21(17)27-22(28)11-10-20(24-27)23(29)26-14-12-25(13-15-26)18-7-5-8-19(16-18)30-2/h3-10,16,24H,11-15H2,1-2H3
InChIKeyZRCHVTQWYDSBQU-UHFFFAOYSA-N
XLogP2.48
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2021300
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524
6-[4-[(4-methoxyphenoxy)methyl]piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2021334
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2035383
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2018085
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22548627
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one (CID 2028193) is 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one is COc1cccc(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4C)N3)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The InChIKey is ZRCHVTQWYDSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-6-3-4-9-21(17)27-22(28)11-10-20(24-27)23(29)26-14-12-25(13-15-26)18-7-5-8-19(16-18)30-2/h3-10,16,24H,11-15H2,1-2H3.
What are the key properties of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one has a molecular weight of 406.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2028193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).