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

C24H22N4O2 — CID 67108642

IUPAC5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one
SMILESCCn1nc(-c2ccc(C)cc2)c(C(C)=O)c(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C24H22N4O2/c1-4-28-24(30)23(26-20-9-5-8-19-18(20)7-6-14-25-19)21(16(3)29)22(27-28)17-12-10-15(2)11-13-17/h5-14,26H,4H2,1-3H3
InChIKeyZKOOEGYRWRWWPG-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.73
Rot. Bonds5

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

5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one (PubChem CID 67108642) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one
PubChem CID67108642
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one
SMILESCCn1nc(-c2ccc(C)cc2)c(C(C)=O)c(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C24H22N4O2/c1-4-28-24(30)23(26-20-9-5-8-19-18(20)7-6-14-25-19)21(16(3)29)22(27-28)17-12-10-15(2)11-13-17/h5-14,26H,4H2,1-3H3
InChIKeyZKOOEGYRWRWWPG-UHFFFAOYSA-N
XLogP4.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-ethyl-6-phenyl-4-(quinolin-4-ylamino)pyridazin-3-one
CID 67109630
[2-(dimethylamino)-2-oxoethyl] 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate
CID 11525687
[5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]quinolin-8-yl] hydrogen carbonate
CID 69142730
5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
CID 68896107
ethyl 1-ethyl-3-(4-methylphenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
CID 11653739
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
3-[3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]phenyl]propanoic acid
CID 54761729
3-[4-acetyl-1-ethyl-6-oxo-5-(pyridin-3-ylamino)pyridazin-3-yl]-2-methylbenzoic acid
CID 69139320
4-[(5-acetyl-2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]-2-methylbenzoic acid
CID 69142744
2-[[3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzoyl]amino]acetic acid
CID 54759364

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one?
The IUPAC name of 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one (CID 67108642) is 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one?
The canonical SMILES for 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one is CCn1nc(-c2ccc(C)cc2)c(C(C)=O)c(Nc2cccc3ncccc23)c1=O.
What is the InChIKey of 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one?
The InChIKey is ZKOOEGYRWRWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-4-28-24(30)23(26-20-9-5-8-19-18(20)7-6-14-25-19)21(16(3)29)22(27-28)17-12-10-15(2)11-13-17/h5-14,26H,4H2,1-3H3.
What are the key properties of 5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one?
5-acetyl-2-ethyl-6-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one has a molecular weight of 398.47 g/mol, XLogP of 4.73, 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-(4-methylphenyl)-4-(quinolin-5-ylamino)pyridazin-3-one is sourced from PubChem (CID 67108642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).