2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one

C15H16N2O3 — CID 105061852

IUPAC2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H16N2O3/c1-10-4-5-12(11(2)8-10)13(18)9-17-15(19)7-6-14(16-17)20-3/h4-8H,9H2,1-3H3
InChIKeyQGQWYWCWJYGXTF-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.75
Rot. Bonds4

About 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one

2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one (PubChem CID 105061852) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
PubChem CID105061852
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H16N2O3/c1-10-4-5-12(11(2)8-10)13(18)9-17-15(19)7-6-14(16-17)20-3/h4-8H,9H2,1-3H3
InChIKeyQGQWYWCWJYGXTF-UHFFFAOYSA-N
XLogP1.75
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-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

Related Compounds

6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061863
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061893
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061918
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one
CID 105062059
2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 51100618
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 63769538
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
6-methoxy-2-[2-(3-nitrophenyl)-2-oxoethyl]pyridazin-3-one
CID 105061887
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one (CID 105061852) is 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(=O)c2ccc(C)cc2C)n1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The InChIKey is QGQWYWCWJYGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-4-5-12(11(2)8-10)13(18)9-17-15(19)7-6-14(16-17)20-3/h4-8H,9H2,1-3H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one has a molecular weight of 272.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).