1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid

C14H14N2O6 — CID 50928021

IUPAC1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c(=O)cc2OC)cc1OC
InChIInChI=1S/C14H14N2O6/c1-20-10-5-4-8(6-11(10)21-2)16-12(22-3)7-9(17)13(15-16)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyKJEAABFXRWWWRB-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.96
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid

1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid (PubChem CID 50928021) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
PubChem CID50928021
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c(=O)cc2OC)cc1OC
InChIInChI=1S/C14H14N2O6/c1-20-10-5-4-8(6-11(10)21-2)16-12(22-3)7-9(17)13(15-16)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyKJEAABFXRWWWRB-UHFFFAOYSA-N
XLogP0.96
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
3-(azepane-1-carbonyl)-6-methoxy-1-(4-methylphenyl)pyridazin-4-one
CID 53157732
1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157656
6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one
CID 53157733
N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 95099138
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
3-(3,4-dimethoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 22334121
N-benzyl-2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005705
methyl 2-[[2-[[3-(3,4-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetyl]amino]acetate
CID 22334171
6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 19806953

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid (CID 50928021) is 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c(=O)cc2OC)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid?
The InChIKey is KJEAABFXRWWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c1-20-10-5-4-8(6-11(10)21-2)16-12(22-3)7-9(17)13(15-16)14(18)19/h4-7H,1-3H3,(H,18,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid?
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid has a molecular weight of 306.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 50928021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).