methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate

C18H14N2O5 — CID 54696635

IUPACmethyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1O
InChIInChI=1S/C18H14N2O5/c1-24-18(23)17-15(21)11-16(22)20(19-17)12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-11,21H,1H3
InChIKeyWBTBPKIFYAMOBF-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.52
Rot. Bonds4

About methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate

methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate (PubChem CID 54696635) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate
PubChem CID54696635
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Namemethyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1O
InChIInChI=1S/C18H14N2O5/c1-24-18(23)17-15(21)11-16(22)20(19-17)12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-11,21H,1H3
InChIKeyWBTBPKIFYAMOBF-UHFFFAOYSA-N
XLogP2.52
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate (CID 54696635) is methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1O.
What is the InChIKey of methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate?
The InChIKey is WBTBPKIFYAMOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-18(23)17-15(21)11-16(22)20(19-17)12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-11,21H,1H3.
What are the key properties of methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate?
methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylate is sourced from PubChem (CID 54696635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).