4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C22H19F3N4O3 — CID 166218060

IUPAC4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)14-4-3-5-15(12-14)26-21(32)29-10-8-28(9-11-29)20(31)17-13-19(30)27-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,26,32)(H,27,30)
InChIKeyLCDAPHBRLPZZPJ-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.54
Rot. Bonds2

About 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 166218060) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID166218060
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)14-4-3-5-15(12-14)26-21(32)29-10-8-28(9-11-29)20(31)17-13-19(30)27-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,26,32)(H,27,30)
InChIKeyLCDAPHBRLPZZPJ-UHFFFAOYSA-N
XLogP3.54
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529889
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
CID 17391109
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
4-[2-(1-benzothiophen-3-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46292824
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17251194

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 166218060) is 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is LCDAPHBRLPZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)14-4-3-5-15(12-14)26-21(32)29-10-8-28(9-11-29)20(31)17-13-19(30)27-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,26,32)(H,27,30).
What are the key properties of 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 166218060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).