ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate

C23H23N3O6 — CID 18579803

IUPACethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC
InChIInChI=1S/C23H23N3O6/c1-3-30-18-13-9-8-12-17(18)24-20(27)15-32-19-14-21(28)26(16-10-6-5-7-11-16)25-22(19)23(29)31-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyGNWFMCYFGHWISM-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.83
Rot. Bonds9

About ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate

ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 18579803) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID18579803
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Nameethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC
InChIInChI=1S/C23H23N3O6/c1-3-30-18-13-9-8-12-17(18)24-20(27)15-32-19-14-21(28)26(16-10-6-5-7-11-16)25-22(19)23(29)31-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyGNWFMCYFGHWISM-UHFFFAOYSA-N
XLogP2.83
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate (CID 18579803) is ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC.
What is the InChIKey of ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is GNWFMCYFGHWISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-3-30-18-13-9-8-12-17(18)24-20(27)15-32-19-14-21(28)26(16-10-6-5-7-11-16)25-22(19)23(29)31-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 437.45 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 18579803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).