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

C22H18F3N3O3 — CID 55586709

IUPAC3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)16-7-5-14(6-8-16)20(30)27-9-11-28(12-10-27)21(31)17-13-15-3-1-2-4-18(15)26-19(17)29/h1-8,13H,9-12H2,(H,26,29)
InChIKeyMYWKPPIUZBOHHN-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.15
Rot. Bonds2

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

3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 55586709) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID55586709
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)16-7-5-14(6-8-16)20(30)27-9-11-28(12-10-27)21(31)17-13-15-3-1-2-4-18(15)26-19(17)29/h1-8,13H,9-12H2,(H,26,29)
InChIKeyMYWKPPIUZBOHHN-UHFFFAOYSA-N
XLogP3.15
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16612909
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55486029
4-[[1-(2-oxo-1H-quinoline-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70737695
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 16613531
3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16589989
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586250
3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119623243

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one (CID 55586709) is 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is MYWKPPIUZBOHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c23-22(24,25)16-7-5-14(6-8-16)20(30)27-9-11-28(12-10-27)21(31)17-13-15-3-1-2-4-18(15)26-19(17)29/h1-8,13H,9-12H2,(H,26,29).
What are the key properties of 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 429.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 55586709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).