methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate

C19H16N2O5 — CID 3785886

IUPACmethyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Oc1ccccc1
InChIInChI=1S/C19H16N2O5/c1-24-14-10-8-13(9-11-14)21-17(22)12-16(18(20-21)19(23)25-2)26-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyYUBSCTSCZSXGFP-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.82
Rot. Bonds5

About methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate

methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate (PubChem CID 3785886) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate
PubChem CID3785886
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Namemethyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Oc1ccccc1
InChIInChI=1S/C19H16N2O5/c1-24-14-10-8-13(9-11-14)21-17(22)12-16(18(20-21)19(23)25-2)26-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyYUBSCTSCZSXGFP-UHFFFAOYSA-N
XLogP2.82
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 18184754
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CID 54693104
CID 54693104
CID 1473648
CID 1473648
CID 2176087
CID 2176087
CID 18579803
CID 18579803
CID 2763735
CID 2763735
CID 1473659
CID 1473659
CID 1478566
CID 1478566
CID 18579787
CID 18579787
CID 18579802
CID 18579802
CID 54687132
CID 54687132
CID 54691068
CID 54691068

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate (CID 3785886) is methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Oc1ccccc1.
What is the InChIKey of methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate?
The InChIKey is YUBSCTSCZSXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-24-14-10-8-13(9-11-14)21-17(22)12-16(18(20-21)19(23)25-2)26-15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate?
methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)-6-oxo-4-phenoxypyridazine-3-carboxylate is sourced from PubChem (CID 3785886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).