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

C21H18N2O4 — CID 7731852

IUPACmethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC(C)=O)c1=O
InChIInChI=1S/C21H18N2O4/c1-14(24)13-23-20(25)18(21(26)27-2)17(15-9-5-3-6-10-15)19(22-23)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyZNFZHBHWOZDTFF-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.95
Rot. Bonds5

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

methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 7731852) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
PubChem CID7731852
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Namemethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC(C)=O)c1=O
InChIInChI=1S/C21H18N2O4/c1-14(24)13-23-20(25)18(21(26)27-2)17(15-9-5-3-6-10-15)19(22-23)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyZNFZHBHWOZDTFF-UHFFFAOYSA-N
XLogP2.95
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731874
methyl 2-[2-(1H-indol-3-yl)-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 20999235
methyl 2-[2-(3-nitrophenyl)-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 20999232
methyl 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-5,6-diphenylpyridazine-4-carboxylate
CID 2242118
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
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790832
2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
methyl 1-(2-acetyloxyethyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 70536884

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate (CID 7731852) is methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate is COC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC(C)=O)c1=O.
What is the InChIKey of methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is ZNFZHBHWOZDTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-14(24)13-23-20(25)18(21(26)27-2)17(15-9-5-3-6-10-15)19(22-23)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3.
What are the key properties of methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate?
methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 7731852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).