N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide

C20H16F3N3O3 — CID 17251213

IUPACN-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H16F3N3O3/c1-24-19(29)15-10-18(28)26(16-8-3-2-7-14(15)16)11-17(27)25-13-6-4-5-12(9-13)20(21,22)23/h2-10H,11H2,1H3,(H,24,29)(H,25,27)
InChIKeyKUIDXLCHOLZLCG-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide

N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide (PubChem CID 17251213) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
PubChem CID17251213
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H16F3N3O3/c1-24-19(29)15-10-18(28)26(16-8-3-2-7-14(15)16)11-17(27)25-13-6-4-5-12(9-13)20(21,22)23/h2-10H,11H2,1H3,(H,24,29)(H,25,27)
InChIKeyKUIDXLCHOLZLCG-UHFFFAOYSA-N
XLogP3.02
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide (CID 17251213) is N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide is CNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The InChIKey is KUIDXLCHOLZLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-24-19(29)15-10-18(28)26(16-8-3-2-7-14(15)16)11-17(27)25-13-6-4-5-12(9-13)20(21,22)23/h2-10H,11H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 17251213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).