[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C27H25N3O5 — CID 16528691

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1
InChIInChI=1S/C27H25N3O5/c1-16-11-17(2)26(18(3)12-16)30-24(31)14-28-25(32)15-35-27(33)20-13-22(23-9-6-10-34-23)29-21-8-5-4-7-19(20)21/h4-13H,14-15H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyQEDPHZXOWIZCTE-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.33
Rot. Bonds7

About [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 16528691) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID16528691
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1
InChIInChI=1S/C27H25N3O5/c1-16-11-17(2)26(18(3)12-16)30-24(31)14-28-25(32)15-35-27(33)20-13-22(23-9-6-10-34-23)29-21-8-5-4-7-19(20)21/h4-13H,14-15H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyQEDPHZXOWIZCTE-UHFFFAOYSA-N
XLogP4.33
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761833
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2466613
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528721
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528750

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 16528691) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate is Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is QEDPHZXOWIZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-16-11-17(2)26(18(3)12-16)30-24(31)14-28-25(32)15-35-27(33)20-13-22(23-9-6-10-34-23)29-21-8-5-4-7-19(20)21/h4-13H,14-15H2,1-3H3,(H,28,32)(H,30,31).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 471.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 16528691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).