6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one

C18H21N3O5 — CID 7671840

IUPAC6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C18H21N3O5/c1-24-13-3-5-16(25-2)14(11-13)15-4-6-17(22)21(19-15)12-18(23)20-7-9-26-10-8-20/h3-6,11H,7-10,12H2,1-2H3
InChIKeyPZSMEXDEAPVWII-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.79
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one

6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (PubChem CID 7671840) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
PubChem CID7671840
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C18H21N3O5/c1-24-13-3-5-16(25-2)14(11-13)15-4-6-17(22)21(19-15)12-18(23)20-7-9-26-10-8-20/h3-6,11H,7-10,12H2,1-2H3
InChIKeyPZSMEXDEAPVWII-UHFFFAOYSA-N
XLogP0.79
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7666598
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 121052281
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
6-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671973
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671843
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802
1-[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51053300

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (CID 7671840) is 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The InChIKey is PZSMEXDEAPVWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-24-13-3-5-16(25-2)14(11-13)15-4-6-17(22)21(19-15)12-18(23)20-7-9-26-10-8-20/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one has a molecular weight of 359.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is sourced from PubChem (CID 7671840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).