5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one

C22H23N3O4 — CID 10069141

IUPAC5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C22H23N3O4/c1-5-25-22(27)21(23-17-13-16(28-3)11-12-18(17)29-4)19(14(2)26)20(24-25)15-9-7-6-8-10-15/h6-13,23H,5H2,1-4H3
InChIKeyGKDQLKGXMFBCGV-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.89
Rot. Bonds7

About 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one

5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one (PubChem CID 10069141) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one
PubChem CID10069141
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C22H23N3O4/c1-5-25-22(27)21(23-17-13-16(28-3)11-12-18(17)29-4)19(14(2)26)20(24-25)15-9-7-6-8-10-15/h6-13,23H,5H2,1-4H3
InChIKeyGKDQLKGXMFBCGV-UHFFFAOYSA-N
XLogP3.89
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
[5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]quinolin-8-yl] hydrogen carbonate
CID 69142730
5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one
CID 67109630
5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
CID 68896107
5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid
CID 67108643
acetyloxymethyl 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
CID 11676167
4-[(5-acetyl-2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]-2-methylbenzoic acid
CID 69142744
5-acetyl-4-(3-bromoanilino)-2-ethyl-6-(3-fluorophenyl)pyridazin-3-one
CID 10094189
N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841617
5-acetyl-2-butyl-4-(3-chloroanilino)-6-phenylpyridazin-3-one;5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one
CID 159588731
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one (CID 10069141) is 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one is CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cc(OC)ccc2OC)c1=O.
What is the InChIKey of 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one?
The InChIKey is GKDQLKGXMFBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-5-25-22(27)21(23-17-13-16(28-3)11-12-18(17)29-4)19(14(2)26)20(24-25)15-9-7-6-8-10-15/h6-13,23H,5H2,1-4H3.
What are the key properties of 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one?
5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one has a molecular weight of 393.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10069141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).