5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one

C23H20N4O2 — CID 67109630

IUPAC5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccnc3ccccc23)c1=O
InChIInChI=1S/C23H20N4O2/c1-3-27-23(29)22(25-19-13-14-24-18-12-8-7-11-17(18)19)20(15(2)28)21(26-27)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H,24,25)
InChIKeyPQSVYKIKNYGSDI-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.42
Rot. Bonds5

About 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one

5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one (PubChem CID 67109630) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one
PubChem CID67109630
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccnc3ccccc23)c1=O
InChIInChI=1S/C23H20N4O2/c1-3-27-23(29)22(25-19-13-14-24-18-12-8-7-11-17(18)19)20(15(2)28)21(26-27)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H,24,25)
InChIKeyPQSVYKIKNYGSDI-UHFFFAOYSA-N
XLogP4.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one
CID 67108642
[5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]quinolin-8-yl] hydrogen carbonate
CID 69142730
[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
CID 11525687
5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one
CID 69154568
5-acetyl-2-ethyl-4-[4-(hydroxymethyl)anilino]-6-phenylpyridazin-3-one
CID 11726227
5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid
CID 67108643
5-acetyl-4-(2,5-dimethoxyanilino)-2-ethyl-6-phenylpyridazin-3-one
CID 10069141
5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
CID 68896107
5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one
CID 69154226
[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino] thiophene-2-carboxylate
CID 90690543
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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one?
The IUPAC name of 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one (CID 67109630) is 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one?
The canonical SMILES for 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one is CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccnc3ccccc23)c1=O.
What is the InChIKey of 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one?
The InChIKey is PQSVYKIKNYGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-27-23(29)22(25-19-13-14-24-18-12-8-7-11-17(18)19)20(15(2)28)21(26-27)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H,24,25).
What are the key properties of 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one?
5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one has a molecular weight of 384.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one is sourced from PubChem (CID 67109630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).