ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate

C19H24N2O4 — CID 100785448

IUPACethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCC)cc2)nn(CC(C)C)c1=O
InChIInChI=1S/C19H24N2O4/c1-5-24-15-9-7-14(8-10-15)17-11-16(19(23)25-6-2)18(22)21(20-17)12-13(3)4/h7-11,13H,5-6,12H2,1-4H3
InChIKeyWVEIUPUTYPKHCR-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.14
Rot. Bonds7

About ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate

ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate (PubChem CID 100785448) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
PubChem CID100785448
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCC)cc2)nn(CC(C)C)c1=O
InChIInChI=1S/C19H24N2O4/c1-5-24-15-9-7-14(8-10-15)17-11-16(19(23)25-6-2)18(22)21(20-17)12-13(3)4/h7-11,13H,5-6,12H2,1-4H3
InChIKeyWVEIUPUTYPKHCR-UHFFFAOYSA-N
XLogP3.14
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
The IUPAC name of ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate (CID 100785448) is ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(OCC)cc2)nn(CC(C)C)c1=O.
What is the InChIKey of ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
The InChIKey is WVEIUPUTYPKHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-24-15-9-7-14(8-10-15)17-11-16(19(23)25-6-2)18(22)21(20-17)12-13(3)4/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 100785448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).