[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate

C21H16N2O4S — CID 2357360

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H16N2O4S/c24-20(22-12-14-5-3-9-26-14)13-27-21(25)16-11-18(19-8-4-10-28-19)23-17-7-2-1-6-15(16)17/h1-11H,12-13H2,(H,22,24)
InChIKeyWQQYCITXQBFPTH-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.03
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 2357360) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID2357360
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H16N2O4S/c24-20(22-12-14-5-3-9-26-14)13-27-21(25)16-11-18(19-8-4-10-28-19)23-17-7-2-1-6-15(16)17/h1-11H,12-13H2,(H,22,24)
InChIKeyWQQYCITXQBFPTH-UHFFFAOYSA-N
XLogP4.03
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-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-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate (CID 2357360) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is WQQYCITXQBFPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c24-20(22-12-14-5-3-9-26-14)13-27-21(25)16-11-18(19-8-4-10-28-19)23-17-7-2-1-6-15(16)17/h1-11H,12-13H2,(H,22,24).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 392.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 2357360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).