6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

C14H14N2O4 — CID 105061863

IUPAC6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1cccc(C(=O)Cn2nc(OC)ccc2=O)c1
InChIInChI=1S/C14H14N2O4/c1-19-11-5-3-4-10(8-11)12(17)9-16-14(18)7-6-13(15-16)20-2/h3-8H,9H2,1-2H3
InChIKeyVFGOLXBMMSRATE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.14
Rot. Bonds5

About 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 105061863) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID105061863
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1cccc(C(=O)Cn2nc(OC)ccc2=O)c1
InChIInChI=1S/C14H14N2O4/c1-19-11-5-3-4-10(8-11)12(17)9-16-14(18)7-6-13(15-16)20-2/h3-8H,9H2,1-2H3
InChIKeyVFGOLXBMMSRATE-UHFFFAOYSA-N
XLogP1.14
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061918
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
6-methoxy-2-[2-(3-nitrophenyl)-2-oxoethyl]pyridazin-3-one
CID 105061887
2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 62849259
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061893
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061852
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
CID 145134299
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 70751844
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
CID 51044276
3-[2-(3-methoxyphenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835683

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (CID 105061863) is 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is COc1cccc(C(=O)Cn2nc(OC)ccc2=O)c1.
What is the InChIKey of 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is VFGOLXBMMSRATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-11-5-3-4-10(8-11)12(17)9-16-14(18)7-6-13(15-16)20-2/h3-8H,9H2,1-2H3.
What are the key properties of 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 274.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 105061863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).