2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one

C20H20N2O2 — CID 1475387

IUPAC2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-19-12-8-16(9-13-19)7-10-18-11-14-20(23)22(21-18)15-17-5-3-2-4-6-17/h2-10,12-13H,11,14-15H2,1H3/b10-7+
InChIKeyZPDCJGHYKWGVHZ-JXMROGBWSA-N
MW320.39 g/mol
LogP3.89
Rot. Bonds5

About 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one

2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 1475387) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
PubChem CID1475387
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-19-12-8-16(9-13-19)7-10-18-11-14-20(23)22(21-18)15-17-5-3-2-4-6-17/h2-10,12-13H,11,14-15H2,1H3/b10-7+
InChIKeyZPDCJGHYKWGVHZ-JXMROGBWSA-N
XLogP3.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one (CID 1475387) is 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one is COc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is ZPDCJGHYKWGVHZ-JXMROGBWSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-19-12-8-16(9-13-19)7-10-18-11-14-20(23)22(21-18)15-17-5-3-2-4-6-17/h2-10,12-13H,11,14-15H2,1H3/b10-7+.
What are the key properties of 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 320.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1475387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).