ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate

C18H22N2O4 — CID 7660182

IUPACethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
SMILESCCOC(=O)[C@@H](CC)n1nc(-c2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C18H22N2O4/c1-4-16(18(22)24-6-3)20-17(21)12-11-15(19-20)13-7-9-14(10-8-13)23-5-2/h7-12,16H,4-6H2,1-3H3/t16-/m1/s1
InChIKeyOYUIFPJKDSWXNT-MRXNPFEDSA-N
MW330.38 g/mol
LogP2.82
Rot. Bonds7

About ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate

ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate (PubChem CID 7660182) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
PubChem CID7660182
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
SMILESCCOC(=O)[C@@H](CC)n1nc(-c2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C18H22N2O4/c1-4-16(18(22)24-6-3)20-17(21)12-11-15(19-20)13-7-9-14(10-8-13)23-5-2/h7-12,16H,4-6H2,1-3H3/t16-/m1/s1
InChIKeyOYUIFPJKDSWXNT-MRXNPFEDSA-N
XLogP2.82
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7660049
ethyl (2S)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanoate
CID 7660048
ethyl (2S)-2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7666481
ethyl (2S)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7665828
methyl (2S)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7666078
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
methyl (2S)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]butanoate
CID 7665293
methyl (2S)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7659911
(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 94199898
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050559
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate?
The IUPAC name of ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate (CID 7660182) is ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate.
What is the SMILES notation for ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate?
The canonical SMILES for ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate is CCOC(=O)[C@@H](CC)n1nc(-c2ccc(OCC)cc2)ccc1=O.
What is the InChIKey of ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate?
The InChIKey is OYUIFPJKDSWXNT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-16(18(22)24-6-3)20-17(21)12-11-15(19-20)13-7-9-14(10-8-13)23-5-2/h7-12,16H,4-6H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate?
ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate has a molecular weight of 330.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate is sourced from PubChem (CID 7660182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).