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

C22H23N3O5 — CID 16528721

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H23N3O5/c1-14(2)9-10-23-22(28)25-20(26)13-30-21(27)16-12-18(19-8-5-11-29-19)24-17-7-4-3-6-15(16)17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,23,25,26,28)
InChIKeyIFAAFHWMFZFBDU-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.52
Rot. Bonds7

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

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 16528721) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID16528721
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H23N3O5/c1-14(2)9-10-23-22(28)25-20(26)13-30-21(27)16-12-18(19-8-5-11-29-19)24-17-7-4-3-6-15(16)17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,23,25,26,28)
InChIKeyIFAAFHWMFZFBDU-UHFFFAOYSA-N
XLogP3.52
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
[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-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 39967131
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2635528
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23876555
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825285

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 16528721) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is CC(C)CCNC(=O)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is IFAAFHWMFZFBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(2)9-10-23-22(28)25-20(26)13-30-21(27)16-12-18(19-8-5-11-29-19)24-17-7-4-3-6-15(16)17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,23,25,26,28).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 16528721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).