2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one

C17H20N2O3 — CID 51044276

IUPAC2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)C(C)(C)C)n2)c1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)15(20)11-19-16(21)9-8-14(18-19)12-6-5-7-13(10-12)22-4/h5-10H,11H2,1-4H3
InChIKeyAFIGSLGJAXCXPO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.53
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one

2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one (PubChem CID 51044276) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
PubChem CID51044276
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)C(C)(C)C)n2)c1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)15(20)11-19-16(21)9-8-14(18-19)12-6-5-7-13(10-12)22-4/h5-10H,11H2,1-4H3
InChIKeyAFIGSLGJAXCXPO-UHFFFAOYSA-N
XLogP2.53
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
ethyl 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 7664984
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 51052238
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 3224474
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 51044931
N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044455
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one (CID 51044276) is 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one is COc1cccc(-c2ccc(=O)n(CC(=O)C(C)(C)C)n2)c1.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one?
The InChIKey is AFIGSLGJAXCXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,3)15(20)11-19-16(21)9-8-14(18-19)12-6-5-7-13(10-12)22-4/h5-10H,11H2,1-4H3.
What are the key properties of 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one?
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one has a molecular weight of 300.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 51044276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).