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

C22H20F3N3O3 — CID 55755141

IUPACN-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H20F3N3O3/c1-3-28(13-19(29)26-17-10-6-5-9-16(17)22(23,24)25)21(31)15-12-20(30)27(2)18-11-7-4-8-14(15)18/h4-12H,3,13H2,1-2H3,(H,26,29)
InChIKeyZRDLKAAUOGWXGR-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.66
Rot. Bonds5

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

N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide (PubChem CID 55755141) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
PubChem CID55755141
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC NameN-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H20F3N3O3/c1-3-28(13-19(29)26-17-10-6-5-9-16(17)22(23,24)25)21(31)15-12-20(30)27(2)18-11-7-4-8-14(15)18/h4-12H,3,13H2,1-2H3,(H,26,29)
InChIKeyZRDLKAAUOGWXGR-UHFFFAOYSA-N
XLogP3.66
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596462
N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55755064
N-ethyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1H-pyridine-3-carboxamide
CID 18114448
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
CID 55755026
2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55365905
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiophene-3-carboxamide
CID 18114443
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide (CID 55755141) is N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The InChIKey is ZRDLKAAUOGWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-3-28(13-19(29)26-17-10-6-5-9-16(17)22(23,24)25)21(31)15-12-20(30)27(2)18-11-7-4-8-14(15)18/h4-12H,3,13H2,1-2H3,(H,26,29).
What are the key properties of N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 55755141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).