[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate

C19H13F3N2O3 — CID 46790445

IUPAC[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H13F3N2O3/c1-10(18(25)24-14-9-7-12(20)16(21)17(14)22)27-19(26)15-8-6-11-4-2-3-5-13(11)23-15/h2-10H,1H3,(H,24,25)
InChIKeySLGDOHJGCISIDH-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.84
Rot. Bonds4

About [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate

[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate (PubChem CID 46790445) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate
PubChem CID46790445
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H13F3N2O3/c1-10(18(25)24-14-9-7-12(20)16(21)17(14)22)27-19(26)15-8-6-11-4-2-3-5-13(11)23-15/h2-10H,1H3,(H,24,25)
InChIKeySLGDOHJGCISIDH-UHFFFAOYSA-N
XLogP3.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 2630739
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] quinoline-2-carboxylate
CID 7812711
[(2R)-1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 41293332
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246973
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 2358161
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 7812959
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
[1-(carbamoylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 3388665
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-hydroxybenzoate
CID 7484915
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950106
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 46618709
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] quinoline-2-carboxylate
CID 7812486

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate?
The IUPAC name of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate (CID 46790445) is [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate.
What is the SMILES notation for [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate?
The canonical SMILES for [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate is CC(OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate?
The InChIKey is SLGDOHJGCISIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-10(18(25)24-14-9-7-12(20)16(21)17(14)22)27-19(26)15-8-6-11-4-2-3-5-13(11)23-15/h2-10H,1H3,(H,24,25).
What are the key properties of [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate?
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate has a molecular weight of 374.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate is sourced from PubChem (CID 46790445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).