4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one

C16H18N2O4 — CID 82447655

IUPAC4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOCCn1nc(-c2ccc(OC)cc2)cc(C(C)=O)c1=O
InChIInChI=1S/C16H18N2O4/c1-11(19)14-10-15(12-4-6-13(22-3)7-5-12)17-18(16(14)20)8-9-21-2/h4-7,10H,8-9H2,1-3H3
InChIKeyGKUNYTFDIOOURA-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.77
Rot. Bonds6

About 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one

4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 82447655) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID82447655
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOCCn1nc(-c2ccc(OC)cc2)cc(C(C)=O)c1=O
InChIInChI=1S/C16H18N2O4/c1-11(19)14-10-15(12-4-6-13(22-3)7-5-12)17-18(16(14)20)8-9-21-2/h4-7,10H,8-9H2,1-3H3
InChIKeyGKUNYTFDIOOURA-UHFFFAOYSA-N
XLogP1.77
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386
1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 82301479
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447529
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 22452196
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one (CID 82447655) is 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one is COCCn1nc(-c2ccc(OC)cc2)cc(C(C)=O)c1=O.
What is the InChIKey of 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is GKUNYTFDIOOURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(19)14-10-15(12-4-6-13(22-3)7-5-12)17-18(16(14)20)8-9-21-2/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 302.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82447655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).