[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

C20H19N3O5 — CID 2635528

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C20H19N3O5/c1-3-21-20(26)23-18(24)11-27-19(25)14-10-16(17-9-8-12(2)28-17)22-15-7-5-4-6-13(14)15/h4-10H,3,11H2,1-2H3,(H2,21,23,24,26)
InChIKeyQEQQNPGYZFKLFF-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.81
Rot. Bonds5

About [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (PubChem CID 2635528) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
PubChem CID2635528
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C20H19N3O5/c1-3-21-20(26)23-18(24)11-27-19(25)14-10-16(17-9-8-12(2)28-17)22-15-7-5-4-6-13(14)15/h4-10H,3,11H2,1-2H3,(H2,21,23,24,26)
InChIKeyQEQQNPGYZFKLFF-UHFFFAOYSA-N
XLogP2.81
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3882869
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3984434
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4853389
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4801663
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2571407
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
[2-(1-methylpyrrol-2-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 31100397
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
[2-(4-bromophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5114690
[2-(4-chlorophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4271505
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4235286

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (CID 2635528) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is CCNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The InChIKey is QEQQNPGYZFKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-3-21-20(26)23-18(24)11-27-19(25)14-10-16(17-9-8-12(2)28-17)22-15-7-5-4-6-13(14)15/h4-10H,3,11H2,1-2H3,(H2,21,23,24,26).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2635528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).