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

C15H15ClN2O3 — CID 82445266

IUPAC4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2cc(Cl)ccc2OC)cc(C(C)=O)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-4-18-15(20)11(9(2)19)8-13(17-18)12-7-10(16)5-6-14(12)21-3/h5-8H,4H2,1-3H3
InChIKeyIFYFEHXAQMIJJY-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.79
Rot. Bonds4

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

4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one (PubChem CID 82445266) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
PubChem CID82445266
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2cc(Cl)ccc2OC)cc(C(C)=O)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-4-18-15(20)11(9(2)19)8-13(17-18)12-7-10(16)5-6-14(12)21-3/h5-8H,4H2,1-3H3
InChIKeyIFYFEHXAQMIJJY-UHFFFAOYSA-N
XLogP2.79
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82445242
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 114213437
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
6-(3-chloro-4-methoxyphenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82445230
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one?
The IUPAC name of 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one (CID 82445266) is 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one is CCn1nc(-c2cc(Cl)ccc2OC)cc(C(C)=O)c1=O.
What is the InChIKey of 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one?
The InChIKey is IFYFEHXAQMIJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-4-18-15(20)11(9(2)19)8-13(17-18)12-7-10(16)5-6-14(12)21-3/h5-8H,4H2,1-3H3.
What are the key properties of 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one?
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one has a molecular weight of 306.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82445266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).