3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride

C15H15ClN2O3 — CID 82421053

IUPAC3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
SMILESCOc1cccc(-n2nc(CCC(=O)Cl)c(=O)cc2C)c1
InChIInChI=1S/C15H15ClN2O3/c1-10-8-14(19)13(6-7-15(16)20)17-18(10)11-4-3-5-12(9-11)21-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKKZLOGVJJMGSDC-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.25
Rot. Bonds5

About 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride

3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride (PubChem CID 82421053) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
PubChem CID82421053
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
SMILESCOc1cccc(-n2nc(CCC(=O)Cl)c(=O)cc2C)c1
InChIInChI=1S/C15H15ClN2O3/c1-10-8-14(19)13(6-7-15(16)20)17-18(10)11-4-3-5-12(9-11)21-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKKZLOGVJJMGSDC-UHFFFAOYSA-N
XLogP2.25
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride 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

3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
1-(3-methoxyphenyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridazin-4-one
CID 82421034
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815
3-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
CID 82419252
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701
1-(3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82421038
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
N-(2-ethoxyphenyl)-1-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373235
1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110373154
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439
3-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 82419138

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride?
The IUPAC name of 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride (CID 82421053) is 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride?
The canonical SMILES for 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride is COc1cccc(-n2nc(CCC(=O)Cl)c(=O)cc2C)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride?
The InChIKey is KKZLOGVJJMGSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10-8-14(19)13(6-7-15(16)20)17-18(10)11-4-3-5-12(9-11)21-2/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride?
3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride has a molecular weight of 306.75 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride is sourced from PubChem (CID 82421053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).