1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone

C21H20FN3O2 — CID 9154776

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c22-17-6-8-18(9-7-17)24-11-13-25(14-12-24)20(26)15-27-19-5-1-3-16-4-2-10-23-21(16)19/h1-10H,11-15H2
InChIKeyRVXVSOODBXTUDG-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone (PubChem CID 9154776) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
PubChem CID9154776
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c22-17-6-8-18(9-7-17)24-11-13-25(14-12-24)20(26)15-27-19-5-1-3-16-4-2-10-23-21(16)19/h1-10H,11-15H2
InChIKeyRVXVSOODBXTUDG-UHFFFAOYSA-N
XLogP3.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone 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-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-(2,4-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 965458
2-(2-bromo-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9081184
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 7376508
2-(2,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 17217386
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
2-(3-bromophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9077805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone (CID 9154776) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone is O=C(COc1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
The InChIKey is RVXVSOODBXTUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-6-8-18(9-7-17)24-11-13-25(14-12-24)20(26)15-27-19-5-1-3-16-4-2-10-23-21(16)19/h1-10H,11-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone has a molecular weight of 365.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone is sourced from PubChem (CID 9154776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).