6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

C18H21N3O4 — CID 7666598

IUPAC6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-24-13-5-6-14(16(11-13)25-2)15-7-8-17(22)21(19-15)12-18(23)20-9-3-4-10-20/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyOQDRMPUVBSMNRW-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.55
Rot. Bonds5

About 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 7666598) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID7666598
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-24-13-5-6-14(16(11-13)25-2)15-7-8-17(22)21(19-15)12-18(23)20-9-3-4-10-20/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyOQDRMPUVBSMNRW-UHFFFAOYSA-N
XLogP1.55
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methoxyphenyl)pyridazin-3-one
CID 52901384
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51049092
1-[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51053300
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 121052281
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
benzyl 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7666486
6-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7671966
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 7666598) is 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is OQDRMPUVBSMNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-13-5-6-14(16(11-13)25-2)15-7-8-17(22)21(19-15)12-18(23)20-9-3-4-10-20/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 343.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7666598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).