5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one

C19H17ClN2O3 — CID 46172935

IUPAC5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C19H17ClN2O3/c1-3-13-4-6-14(7-5-13)22-19(23)18(17(20)12-21-22)25-16-10-8-15(24-2)9-11-16/h4-12H,3H2,1-2H3
InChIKeyRCOIZIFMFNASTI-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one

5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one (PubChem CID 46172935) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
PubChem CID46172935
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C19H17ClN2O3/c1-3-13-4-6-14(7-5-13)22-19(23)18(17(20)12-21-22)25-16-10-8-15(24-2)9-11-16/h4-12H,3H2,1-2H3
InChIKeyRCOIZIFMFNASTI-UHFFFAOYSA-N
XLogP4.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
5-chloro-2-(3-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904509
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652
5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846317
5-chloro-2-[4-(cyclohexen-1-yl)phenyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904501
5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 46172932
2-(3-bromophenyl)-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846322
4-chloro-5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512659
5-chloro-2-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904431
5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one
CID 50904508
4-(4-methoxyphenoxy)-5-piperidin-1-yl-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 46172928
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one (CID 46172935) is 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one is CCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The InChIKey is RCOIZIFMFNASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-13-4-6-14(7-5-13)22-19(23)18(17(20)12-21-22)25-16-10-8-15(24-2)9-11-16/h4-12H,3H2,1-2H3.
What are the key properties of 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one has a molecular weight of 356.81 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one is sourced from PubChem (CID 46172935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).