3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one

C23H20F3N3O3 — CID 154852591

IUPAC3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1c(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H20F3N3O3/c1-14-19(17-7-2-3-8-18(17)27-20(14)30)22(32)29-11-9-28(10-12-29)21(31)15-5-4-6-16(13-15)23(24,25)26/h2-8,13H,9-12H2,1H3,(H,27,30)
InChIKeyUPDLORHHJRIWHX-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.45
Rot. Bonds2

About 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one

3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 154852591) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID154852591
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1c(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H20F3N3O3/c1-14-19(17-7-2-3-8-18(17)27-20(14)30)22(32)29-11-9-28(10-12-29)21(31)15-5-4-6-16(13-15)23(24,25)26/h2-8,13H,9-12H2,1H3,(H,27,30)
InChIKeyUPDLORHHJRIWHX-UHFFFAOYSA-N
XLogP3.45
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(pyrrolidine-1-carbonyl)-1H-quinolin-2-one
CID 131849523
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-methyl-1H-quinolin-2-one
CID 45494575
[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785360
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55586709
[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785069
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289
1-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 47043284
(3-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925108
[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55747004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one (CID 154852591) is 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one is Cc1c(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is UPDLORHHJRIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-14-19(17-7-2-3-8-18(17)27-20(14)30)22(32)29-11-9-28(10-12-29)21(31)15-5-4-6-16(13-15)23(24,25)26/h2-8,13H,9-12H2,1H3,(H,27,30).
What are the key properties of 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 443.43 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 154852591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).