[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C23H17FN2O4 — CID 8761833

IUPAC[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(F)c1
InChIInChI=1S/C23H17FN2O4/c1-14-8-9-19(17(24)11-14)26-22(27)13-30-23(28)16-12-20(21-7-4-10-29-21)25-18-6-3-2-5-15(16)18/h2-12H,13H2,1H3,(H,26,27)
InChIKeyOXTQOQQICCIMSK-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.74
Rot. Bonds5

About [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 8761833) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID8761833
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(F)c1
InChIInChI=1S/C23H17FN2O4/c1-14-8-9-19(17(24)11-14)26-22(27)13-30-23(28)16-12-20(21-7-4-10-29-21)25-18-6-3-2-5-15(16)18/h2-12H,13H2,1H3,(H,26,27)
InChIKeyOXTQOQQICCIMSK-UHFFFAOYSA-N
XLogP4.74
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2466613
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528750
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23770577
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 8761833) is [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is OXTQOQQICCIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c1-14-8-9-19(17(24)11-14)26-22(27)13-30-23(28)16-12-20(21-7-4-10-29-21)25-18-6-3-2-5-15(16)18/h2-12H,13H2,1H3,(H,26,27).
What are the key properties of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 404.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 8761833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).