6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid

C18H14N2O4 — CID 94962369

IUPAC6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H14N2O4/c1-12-11-16(21)17(18(22)23)19-20(12)13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,23)
InChIKeyAGJXOZSOKCMLOC-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.03
Rot. Bonds4

About 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid

6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid (PubChem CID 94962369) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
PubChem CID94962369
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H14N2O4/c1-12-11-16(21)17(18(22)23)19-20(12)13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,23)
InChIKeyAGJXOZSOKCMLOC-UHFFFAOYSA-N
XLogP3.03
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
CID 43154901
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154903
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952
(4-acetamidophenyl) 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 56809288
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9075242
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 46470785

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid (CID 94962369) is 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)nn1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid?
The InChIKey is AGJXOZSOKCMLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-12-11-16(21)17(18(22)23)19-20(12)13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,23).
What are the key properties of 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid?
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 94962369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).