(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone

C21H17ClF3N3O — CID 2822624

IUPAC(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C21H17ClF3N3O/c22-15-7-5-14(6-8-15)20(29)28-11-9-27(10-12-28)18-13-19(21(23,24)25)26-17-4-2-1-3-16(17)18/h1-8,13H,9-12H2
InChIKeyIYNQABUWUIEQOW-UHFFFAOYSA-N
MW419.83 g/mol
LogP4.87
Rot. Bonds2

About (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (PubChem CID 2822624) has the molecular formula C21H17ClF3N3O and a molecular weight of 419.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
PubChem CID2822624
Molecular FormulaC21H17ClF3N3O
Molecular Weight419.83 g/mol
Exact Mass419.10
IUPAC Name(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C21H17ClF3N3O/c22-15-7-5-14(6-8-15)20(29)28-11-9-27(10-12-28)18-13-19(21(23,24)25)26-17-4-2-1-3-16(17)18/h1-8,13H,9-12H2
InChIKeyIYNQABUWUIEQOW-UHFFFAOYSA-N
XLogP4.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.83
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2809481
4-[4-(4-chlorobenzoyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133316552
2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 166110468
(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 131949132
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
(4-chlorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892346
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
[4-(2-methylpropyl)piperazin-1-yl]-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 21399777
tert-butyl (3S)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 166110445
1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one
CID 131899215
4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133306230
(4-chlorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093514

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (CID 2822624) is (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The InChIKey is IYNQABUWUIEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O/c22-15-7-5-14(6-8-15)20(29)28-11-9-27(10-12-28)18-13-19(21(23,24)25)26-17-4-2-1-3-16(17)18/h1-8,13H,9-12H2.
What are the key properties of (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone has a molecular weight of 419.83 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 2822624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).