methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate

C18H14N2O4 — CID 2763735

IUPACmethyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1
InChIInChI=1S/C18H14N2O4/c1-23-18(22)17-15(24-14-10-6-3-7-11-14)12-16(21)20(19-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyBMVRSQWARJTUGW-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.81
Rot. Bonds4

About methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate

methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate (PubChem CID 2763735) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate
PubChem CID2763735
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Namemethyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1
InChIInChI=1S/C18H14N2O4/c1-23-18(22)17-15(24-14-10-6-3-7-11-14)12-16(21)20(19-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyBMVRSQWARJTUGW-UHFFFAOYSA-N
XLogP2.81
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 54693104
Methyl 4-(3-chlorophenoxy)-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
CID 1473648
4-bromo-5-(4-methoxyphenoxy)-2-phenyl-3(2H)-pyridazinone
CID 1480667
6-(2-phenoxyethoxy)-2-phenyl-3(2H)-pyridazinone
CID 2176087
Ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 18579803
Methyl 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate
CID 1478566
Methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxy-1,6-dihydro-3-pyridazinecarboxylate
CID 3785886
Ethyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
CID 18579802
4-Hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxamide
CID 54687132
4-Hydroxy-6-oxo-1-(4-phenoxyphenyl)-1,6-dihydro-3-pyridazinecarboxamide
CID 54691068
Ethyl 5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxylate
CID 687973
2-(4-Fluorophenyl)-5-(2-phenoxyethoxy)pyridazin-3(2H)-one
CID 122455990

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate (CID 2763735) is methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate is COC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1.
What is the InChIKey of methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate?
The InChIKey is BMVRSQWARJTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-23-18(22)17-15(24-14-10-6-3-7-11-14)12-16(21)20(19-17)13-8-4-2-5-9-13/h2-12H,1H3.
What are the key properties of methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate?
methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-4-phenoxy-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 2763735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).