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

C18H15N3O5 — CID 9330812

IUPAC[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESNC(=O)CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H15N3O5/c19-16(22)9-20-17(23)10-26-18(24)12-8-14(15-6-3-7-25-15)21-13-5-2-1-4-11(12)13/h1-8H,9-10H2,(H2,19,22)(H,20,23)
InChIKeyMNHYYXZVKWGROB-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.25
Rot. Bonds6

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

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 9330812) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID9330812
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESNC(=O)CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H15N3O5/c19-16(22)9-20-17(23)10-26-18(24)12-8-14(15-6-3-7-25-15)21-13-5-2-1-4-11(12)13/h1-8H,9-10H2,(H2,19,22)(H,20,23)
InChIKeyMNHYYXZVKWGROB-UHFFFAOYSA-N
XLogP1.25
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691
(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-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
[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
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 39967131
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23770577

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 9330812) is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is NC(=O)CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is MNHYYXZVKWGROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c19-16(22)9-20-17(23)10-26-18(24)12-8-14(15-6-3-7-25-15)21-13-5-2-1-4-11(12)13/h1-8H,9-10H2,(H2,19,22)(H,20,23).
What are the key properties of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 353.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 9330812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).