6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one

C21H22N2O3 — CID 11175536

IUPAC6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCc3ccccc3)n2)cc1OC
InChIInChI=1S/C21H22N2O3/c1-25-19-12-10-17(15-20(19)26-2)18-11-13-21(24)23(22-18)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3
InChIKeyFOXQXUPYSIQJFO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one (PubChem CID 11175536) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one
PubChem CID11175536
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCc3ccccc3)n2)cc1OC
InChIInChI=1S/C21H22N2O3/c1-25-19-12-10-17(15-20(19)26-2)18-11-13-21(24)23(22-18)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3
InChIKeyFOXQXUPYSIQJFO-UHFFFAOYSA-N
XLogP3.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-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 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one (CID 11175536) is 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CCCc3ccccc3)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one?
The InChIKey is FOXQXUPYSIQJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-19-12-10-17(15-20(19)26-2)18-11-13-21(24)23(22-18)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one has a molecular weight of 350.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-(3-phenylpropyl)pyridazin-3-one is sourced from PubChem (CID 11175536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).