[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C22H14F2N2O4 — CID 2466613

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H14F2N2O4/c23-16-8-7-13(10-17(16)24)25-21(27)12-30-22(28)15-11-19(20-6-3-9-29-20)26-18-5-2-1-4-14(15)18/h1-11H,12H2,(H,25,27)
InChIKeyMKYJICUXOQTCJF-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.57
Rot. Bonds5

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2466613) has the molecular formula C22H14F2N2O4 and a molecular weight of 408.36 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2466613
Molecular FormulaC22H14F2N2O4
Molecular Weight408.36 g/mol
Exact Mass408.09
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H14F2N2O4/c23-16-8-7-13(10-17(16)24)25-21(27)12-30-22(28)15-11-19(20-6-3-9-29-20)26-18-5-2-1-4-14(15)18/h1-11H,12H2,(H,25,27)
InChIKeyMKYJICUXOQTCJF-UHFFFAOYSA-N
XLogP4.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761833
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2121133
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23876555
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 4845160
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528750
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23770577
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2466613) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is MKYJICUXOQTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O4/c23-16-8-7-13(10-17(16)24)25-21(27)12-30-22(28)15-11-19(20-6-3-9-29-20)26-18-5-2-1-4-14(15)18/h1-11H,12H2,(H,25,27).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 408.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2466613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).