(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C27H21F4N3O — CID 3557816

IUPAC(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccc(F)cc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H21F4N3O/c28-20-9-10-24-22(16-20)23(17-25(32-24)18-5-2-1-3-6-18)26(35)34-13-11-33(12-14-34)21-8-4-7-19(15-21)27(29,30)31/h1-10,15-17H,11-14H2
InChIKeyVMOBQPSGVSFYSG-UHFFFAOYSA-N
MW479.48 g/mol
LogP6.02
Rot. Bonds3

About (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 3557816) has the molecular formula C27H21F4N3O and a molecular weight of 479.48 g/mol. Its IUPAC name is (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID3557816
Molecular FormulaC27H21F4N3O
Molecular Weight479.48 g/mol
Exact Mass479.16
IUPAC Name(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccc(F)cc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H21F4N3O/c28-20-9-10-24-22(16-20)23(17-25(32-24)18-5-2-1-3-6-18)26(35)34-13-11-33(12-14-34)21-8-4-7-19(15-21)27(29,30)31/h1-10,15-17H,11-14H2
InChIKeyVMOBQPSGVSFYSG-UHFFFAOYSA-N
XLogP6.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone 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

[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42750074
[2-(4-methoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1011234
[2-(2-fluorophenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4557350
[2-(3-ethoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4141764
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17372471
[2-(5-methylfuran-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222852
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3341823
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42749997
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 41115411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 4554778
[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3712808

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 3557816) is (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc2ccc(F)cc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is VMOBQPSGVSFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4N3O/c28-20-9-10-24-22(16-20)23(17-25(32-24)18-5-2-1-3-6-18)26(35)34-13-11-33(12-14-34)21-8-4-7-19(15-21)27(29,30)31/h1-10,15-17H,11-14H2.
What are the key properties of (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 479.48 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3557816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).