2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one

C19H20N2O3 — CID 10980260

IUPAC2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-10-8-15(12-18(17)24-2)16-9-11-19(22)21(20-16)13-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyOSGFQUPLDZBTPO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.23
Rot. Bonds5

About 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one

2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 10980260) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
PubChem CID10980260
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-10-8-15(12-18(17)24-2)16-9-11-19(22)21(20-16)13-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyOSGFQUPLDZBTPO-UHFFFAOYSA-N
XLogP3.23
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one (CID 10980260) is 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)cc1OC.
What is the InChIKey of 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is OSGFQUPLDZBTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-10-8-15(12-18(17)24-2)16-9-11-19(22)21(20-16)13-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3.
What are the key properties of 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one?
2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 324.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 10980260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).