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

C23H28N2O3 — CID 11440401

IUPAC6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CCCCCc3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C23H28N2O3/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/h3,5-6,9-10,12,14,17H,4,7-8,11,13,15-16H2,1-2H3
InChIKeyPWVKTJMOHHZXMC-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.44
Rot. Bonds9

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

6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one (PubChem CID 11440401) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
PubChem CID11440401
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CCCCCc3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C23H28N2O3/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/h3,5-6,9-10,12,14,17H,4,7-8,11,13,15-16H2,1-2H3
InChIKeyPWVKTJMOHHZXMC-UHFFFAOYSA-N
XLogP4.44
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-phenylpentyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one (CID 11440401) is 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(CCCCCc3ccccc3)C(=O)CC2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one?
The InChIKey is PWVKTJMOHHZXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/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/h3,5-6,9-10,12,14,17H,4,7-8,11,13,15-16H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one has a molecular weight of 380.49 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 11440401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).