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

C24H28N2O3 — CID 11269374

IUPAC6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCCc3ccccc3)n2)cc1OC
InChIInChI=1S/C24H28N2O3/c1-28-22-15-13-20(18-23(22)29-2)21-14-16-24(27)26(25-21)17-9-4-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-16,18H,3-4,6,9-10,17H2,1-2H3
InChIKeyTZLDNYQGARHUED-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.73
Rot. Bonds10

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

6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one (PubChem CID 11269374) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one
PubChem CID11269374
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCCc3ccccc3)n2)cc1OC
InChIInChI=1S/C24H28N2O3/c1-28-22-15-13-20(18-23(22)29-2)21-14-16-24(27)26(25-21)17-9-4-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-16,18H,3-4,6,9-10,17H2,1-2H3
InChIKeyTZLDNYQGARHUED-UHFFFAOYSA-N
XLogP4.73
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one (CID 11269374) is 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CCCCCCc3ccccc3)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one?
The InChIKey is TZLDNYQGARHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-22-15-13-20(18-23(22)29-2)21-14-16-24(27)26(25-21)17-9-4-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-16,18H,3-4,6,9-10,17H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-(6-phenylhexyl)pyridazin-3-one has a molecular weight of 392.50 g/mol, XLogP of 4.73, 10 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-(6-phenylhexyl)pyridazin-3-one is sourced from PubChem (CID 11269374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).