ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate

C16H18N2O4 — CID 71698444

IUPACethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H18N2O4/c1-4-22-15(19)10-18-16(20)14(9-11(2)17-18)12-5-7-13(21-3)8-6-12/h5-9H,4,10H2,1-3H3
InChIKeyLSJHOQSXOSWLHL-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.79
Rot. Bonds5

About ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate

ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate (PubChem CID 71698444) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate
PubChem CID71698444
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C16H18N2O4/c1-4-22-15(19)10-18-16(20)14(9-11(2)17-18)12-5-7-13(21-3)8-6-12/h5-9H,4,10H2,1-3H3
InChIKeyLSJHOQSXOSWLHL-UHFFFAOYSA-N
XLogP1.79
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 30849928
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
CID 75485346
ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate
CID 18771368
ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate
CID 129267334
ethyl 2-(2,4-dimethyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate;1-methoxy-4-(2-methylpropyl)benzene;propane
CID 168979978
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497159
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
CID 13180335
ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587517
ethyl 2-[6-(4-methoxyphenyl)purin-9-yl]acetate
CID 134850644
ethyl 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587044

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate (CID 71698444) is ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate is CCOC(=O)Cn1nc(C)cc(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate?
The InChIKey is LSJHOQSXOSWLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-22-15(19)10-18-16(20)14(9-11(2)17-18)12-5-7-13(21-3)8-6-12/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate?
ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate has a molecular weight of 302.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 71698444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).