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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 12971765
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
CID 22452273
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 2-(2-amino-2-oxoethyl)-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carboxylate
CID 100785607
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
ethyl 2-ethenyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 22452257
ethyl 2-(2-amino-2-oxoethyl)-6-(4-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 100785584
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609
ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7660182
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559

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).