propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate

C22H21N3O6 — CID 108798552

IUPACpropyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)c1
InChIInChI=1S/C22H21N3O6/c1-3-11-31-22(29)14-7-6-8-15(12-14)23-21(28)20-17(26)13-19(27)25(24-20)16-9-4-5-10-18(16)30-2/h4-10,12-13,26H,3,11H2,1-2H3,(H,23,28)
InChIKeySALRBLSJQUELMG-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.77
Rot. Bonds7

About propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate

propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate (PubChem CID 108798552) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate
PubChem CID108798552
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Namepropyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)c1
InChIInChI=1S/C22H21N3O6/c1-3-11-31-22(29)14-7-6-8-15(12-14)23-21(28)20-17(26)13-19(27)25(24-20)16-9-4-5-10-18(16)30-2/h4-10,12-13,26H,3,11H2,1-2H3,(H,23,28)
InChIKeySALRBLSJQUELMG-UHFFFAOYSA-N
XLogP2.77
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798547
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 108798517
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
CID 108809362
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
4-hydroxy-1-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108798477

Frequently Asked Questions

What is the IUPAC name of propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate (CID 108798552) is propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate is CCCOC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)c1.
What is the InChIKey of propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate?
The InChIKey is SALRBLSJQUELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6/c1-3-11-31-22(29)14-7-6-8-15(12-14)23-21(28)20-17(26)13-19(27)25(24-20)16-9-4-5-10-18(16)30-2/h4-10,12-13,26H,3,11H2,1-2H3,(H,23,28).
What are the key properties of propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate?
propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate has a molecular weight of 423.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 108798552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).