ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate

C22H20N2O4 — CID 7731874

IUPACethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC(C)=O)c1=O
InChIInChI=1S/C22H20N2O4/c1-3-28-22(27)19-18(16-10-6-4-7-11-16)20(17-12-8-5-9-13-17)23-24(21(19)26)14-15(2)25/h4-13H,3,14H2,1-2H3
InChIKeyNCHRKQVREJJQJH-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.34
Rot. Bonds6

About ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate

ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 7731874) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
PubChem CID7731874
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Nameethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC(C)=O)c1=O
InChIInChI=1S/C22H20N2O4/c1-3-28-22(27)19-18(16-10-6-4-7-11-16)20(17-12-8-5-9-13-17)23-24(21(19)26)14-15(2)25/h4-13H,3,14H2,1-2H3
InChIKeyNCHRKQVREJJQJH-UHFFFAOYSA-N
XLogP3.34
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731852
ethyl 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 20999278
ethyl 2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 20999291
methyl 2-[2-(1H-indol-3-yl)-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 20999235
ethyl 1-(2-ethoxy-2-oxoethyl)-5-(1-hydroxyethyl)-3-phenylpyrazole-4-carboxylate
CID 12677011
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
dimethyl-[3-(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)oxypropyl]azanium
CID 4583627
methyl 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-5,6-diphenylpyridazine-4-carboxylate
CID 2242118
ethyl 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]benzoate
CID 54510230
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate (CID 7731874) is ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC(C)=O)c1=O.
What is the InChIKey of ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is NCHRKQVREJJQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-3-28-22(27)19-18(16-10-6-4-7-11-16)20(17-12-8-5-9-13-17)23-24(21(19)26)14-15(2)25/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 7731874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).