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

C18H16N2O4 — CID 2096377

IUPAC[2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H16N2O4/c1-2-19-17(21)11-24-18(22)13-10-15(16-8-5-9-23-16)20-14-7-4-3-6-12(13)14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyVGSXOJZTGNGMSP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.79
Rot. Bonds5

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

[2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2096377) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2096377
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H16N2O4/c1-2-19-17(21)11-24-18(22)13-10-15(16-8-5-9-23-16)20-14-7-4-3-6-12(13)14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyVGSXOJZTGNGMSP-UHFFFAOYSA-N
XLogP2.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2096377) is [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is CCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is VGSXOJZTGNGMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-19-17(21)11-24-18(22)13-10-15(16-8-5-9-23-16)20-14-7-4-3-6-12(13)14/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2096377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).