1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone

C23H24FN3O — CID 169411618

IUPAC1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccc(F)cc4C)cc(C)c3c2)CC1
InChIInChI=1S/C23H24FN3O/c1-15-12-18(24)4-6-20(15)23-13-16(2)21-14-19(5-7-22(21)25-23)27-10-8-26(9-11-27)17(3)28/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOAPMLQKCNBNMLW-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.33
Rot. Bonds2

About 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone

1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone (PubChem CID 169411618) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
PubChem CID169411618
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccc(F)cc4C)cc(C)c3c2)CC1
InChIInChI=1S/C23H24FN3O/c1-15-12-18(24)4-6-20(15)23-13-16(2)21-14-19(5-7-22(21)25-23)27-10-8-26(9-11-27)17(3)28/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOAPMLQKCNBNMLW-UHFFFAOYSA-N
XLogP4.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169422573
1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone
CID 169417416
1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 42750169
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891902
3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole
CID 169416921
1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone
CID 134126856
2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid
CID 142405531
4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde
CID 143782236

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone (CID 169411618) is 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3nc(-c4ccc(F)cc4C)cc(C)c3c2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
The InChIKey is OAPMLQKCNBNMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-15-12-18(24)4-6-20(15)23-13-16(2)21-14-19(5-7-22(21)25-23)27-10-8-26(9-11-27)17(3)28/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 377.46 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 169411618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).