5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one

C21H20ClN3O2 — CID 69154598

IUPAC5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C21H20ClN3O2/c1-3-12-25-21(27)20(23-17-11-7-10-16(22)13-17)18(14(2)26)19(24-25)15-8-5-4-6-9-15/h4-11,13,23H,3,12H2,1-2H3
InChIKeyHOUKQNUEMWSYMW-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.92
Rot. Bonds6

About 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one

5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one (PubChem CID 69154598) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one
PubChem CID69154598
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C21H20ClN3O2/c1-3-12-25-21(27)20(23-17-11-7-10-16(22)13-17)18(14(2)26)19(24-25)15-8-5-4-6-9-15/h4-11,13,23H,3,12H2,1-2H3
InChIKeyHOUKQNUEMWSYMW-UHFFFAOYSA-N
XLogP4.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one (CID 69154598) is 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one is CCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cccc(Cl)c2)c1=O.
What is the InChIKey of 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one?
The InChIKey is HOUKQNUEMWSYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-3-12-25-21(27)20(23-17-11-7-10-16(22)13-17)18(14(2)26)19(24-25)15-8-5-4-6-9-15/h4-11,13,23H,3,12H2,1-2H3.
What are the key properties of 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one?
5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one has a molecular weight of 381.86 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one is sourced from PubChem (CID 69154598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).