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

C24H22F3N3O2 — CID 55365905

IUPAC2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H22F3N3O2/c1-2-30(14-22(31)29-20-10-6-4-8-18(20)24(25,26)27)23(32)17-13-21(15-11-12-15)28-19-9-5-3-7-16(17)19/h3-10,13,15H,2,11-12,14H2,1H3,(H,29,31)
InChIKeyUHAAHPPBBKJDEN-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.23
Rot. Bonds6

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

2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide (PubChem CID 55365905) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
PubChem CID55365905
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H22F3N3O2/c1-2-30(14-22(31)29-20-10-6-4-8-18(20)24(25,26)27)23(32)17-13-21(15-11-12-15)28-19-9-5-3-7-16(17)19/h3-10,13,15H,2,11-12,14H2,1H3,(H,29,31)
InChIKeyUHAAHPPBBKJDEN-UHFFFAOYSA-N
XLogP5.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 9378561
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
CID 95285747
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide (CID 55365905) is 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
The InChIKey is UHAAHPPBBKJDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-2-30(14-22(31)29-20-10-6-4-8-18(20)24(25,26)27)23(32)17-13-21(15-11-12-15)28-19-9-5-3-7-16(17)19/h3-10,13,15H,2,11-12,14H2,1H3,(H,29,31).
What are the key properties of 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide?
2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 55365905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).