ethyl 2-thiophen-2-ylquinoline-4-carboxylate

C16H13NO2S — CID 624898

IUPACethyl 2-thiophen-2-ylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H13NO2S/c1-2-19-16(18)12-10-14(15-8-5-9-20-15)17-13-7-4-3-6-11(12)13/h3-10H,2H2,1H3
InChIKeyKNLJZBPYAXOBDY-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.14
Rot. Bonds3

About ethyl 2-thiophen-2-ylquinoline-4-carboxylate

ethyl 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 624898) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID624898
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Nameethyl 2-thiophen-2-ylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H13NO2S/c1-2-19-16(18)12-10-14(15-8-5-9-20-15)17-13-7-4-3-6-11(12)13/h3-10H,2H2,1H3
InChIKeyKNLJZBPYAXOBDY-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 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 ethyl 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of ethyl 2-thiophen-2-ylquinoline-4-carboxylate (CID 624898) is ethyl 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for ethyl 2-thiophen-2-ylquinoline-4-carboxylate is CCOC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of ethyl 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is KNLJZBPYAXOBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-19-16(18)12-10-14(15-8-5-9-20-15)17-13-7-4-3-6-11(12)13/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-thiophen-2-ylquinoline-4-carboxylate?
ethyl 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 624898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).