(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate

C22H16N2O4 — CID 2353514

IUPAC(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C22H16N2O4/c25-21(23-15-7-2-1-3-8-15)14-28-22(26)17-13-19(20-11-6-12-27-20)24-18-10-5-4-9-16(17)18/h1-13H,14H2,(H,23,25)
InChIKeyAFYYTEFAVRMRLM-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.29
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate

(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2353514) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2353514
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C22H16N2O4/c25-21(23-15-7-2-1-3-8-15)14-28-22(26)17-13-19(20-11-6-12-27-20)24-18-10-5-4-9-16(17)18/h1-13H,14H2,(H,23,25)
InChIKeyAFYYTEFAVRMRLM-UHFFFAOYSA-N
XLogP4.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2466613
[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-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-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761833
[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
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 4845160

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate (CID 2353514) is (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is AFYYTEFAVRMRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-21(23-15-7-2-1-3-8-15)14-28-22(26)17-13-19(20-11-6-12-27-20)24-18-10-5-4-9-16(17)18/h1-13H,14H2,(H,23,25).
What are the key properties of (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2353514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).