3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one

C14H13ClN2O3 — CID 82420543

IUPAC3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
SMILESCOc1ccc(Cl)cc1-n1nc(C(C)=O)c(=O)cc1C
InChIInChI=1S/C14H13ClN2O3/c1-8-6-12(19)14(9(2)18)16-17(8)11-7-10(15)4-5-13(11)20-3/h4-7H,1-3H3
InChIKeyQMQRCXLPHOAPFN-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.41
Rot. Bonds3

About 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one

3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one (PubChem CID 82420543) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
PubChem CID82420543
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
SMILESCOc1ccc(Cl)cc1-n1nc(C(C)=O)c(=O)cc1C
InChIInChI=1S/C14H13ClN2O3/c1-8-6-12(19)14(9(2)18)16-17(8)11-7-10(15)4-5-13(11)20-3/h4-7H,1-3H3
InChIKeyQMQRCXLPHOAPFN-UHFFFAOYSA-N
XLogP2.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
CID 82420521
3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421210
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82420505

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one (CID 82420543) is 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one is COc1ccc(Cl)cc1-n1nc(C(C)=O)c(=O)cc1C.
What is the InChIKey of 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one?
The InChIKey is QMQRCXLPHOAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-6-12(19)14(9(2)18)16-17(8)11-7-10(15)4-5-13(11)20-3/h4-7H,1-3H3.
What are the key properties of 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one?
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one has a molecular weight of 292.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).