6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one

C23H26N2O3 — CID 11153159

IUPAC6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCc3ccccc3)n2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-21-14-12-19(17-22(21)28-2)20-13-15-23(26)25(24-20)16-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,12-15,17H,4,7-8,11,16H2,1-2H3
InChIKeyFXOUERUVWLMXDR-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.34
Rot. Bonds9

About 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one (PubChem CID 11153159) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
PubChem CID11153159
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCc3ccccc3)n2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-21-14-12-19(17-22(21)28-2)20-13-15-23(26)25(24-20)16-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,12-15,17H,4,7-8,11,16H2,1-2H3
InChIKeyFXOUERUVWLMXDR-UHFFFAOYSA-N
XLogP4.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.34
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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Related Compounds

2-(5-Bromo-pentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 22337167
2-Cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 10068486
2-(2-Adamantyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 10938708
2-Cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11058378
2-Cyclohexyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11089927
2-Cyclopentyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11824398
2-(2,3-dihydro-1H-inden-2-yl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 18690934
(4aS,8aR)-2-cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 24841825
(3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3755793
2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
6-(3,4-Dimethoxyphenyl)pyridazin-3-ol
CID 13136110

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one (CID 11153159) is 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CCCCCc3ccccc3)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one?
The InChIKey is FXOUERUVWLMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-21-14-12-19(17-22(21)28-2)20-13-15-23(26)25(24-20)16-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,12-15,17H,4,7-8,11,16H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one has a molecular weight of 378.47 g/mol, XLogP of 4.34, 9 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-(5-phenylpentyl)pyridazin-3-one is sourced from PubChem (CID 11153159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).