2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate

C16H17NO2S — CID 106902776

IUPAC2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESO=C(OCCc1cccs1)C1CNc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c18-16(19-8-7-14-5-3-9-20-14)13-10-12-4-1-2-6-15(12)17-11-13/h1-6,9,13,17H,7-8,10-11H2
InChIKeyNKFWWALWPAJEMV-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.12
Rot. Bonds4

About 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate

2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (PubChem CID 106902776) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
PubChem CID106902776
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESO=C(OCCc1cccs1)C1CNc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c18-16(19-8-7-14-5-3-9-20-14)13-10-12-4-1-2-6-15(12)17-11-13/h1-6,9,13,17H,7-8,10-11H2
InChIKeyNKFWWALWPAJEMV-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate
CID 134944273
methyl (2R,3S,4S)-4-hydroxy-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 178270386
Ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate
CID 5127210
2-thiophen-2-ylethyl 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 71883822
Ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate;hydrochloride
CID 126479587
2-Methoxyethyl 2-[4-(4-thiophen-2-ylbutylamino)phenyl]acetate
CID 20331028
Ethyl 2-[4-(4-thiophen-2-ylbutylamino)phenyl]acetate
CID 20331272
Ethyl 2-[4-[3-(3-octan-4-ylthiophen-2-yl)propylamino]phenyl]acetate
CID 53926758
Ethyl 2-[4-(10-thiophen-2-yldec-9-enylamino)phenyl]acetate
CID 53943923
Ethyl 3-[4-(10-thiophen-2-yldec-9-enylamino)phenyl]propanoate
CID 57047552
methyl 2-[2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enyl]amino]phenyl]acetate
CID 71029939
Ethyl 2-oxo-4-thiophen-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3-carboxylate
CID 9819374

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (CID 106902776) is 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate is O=C(OCCc1cccs1)C1CNc2ccccc2C1.
What is the InChIKey of 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The InChIKey is NKFWWALWPAJEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(19-8-7-14-5-3-9-20-14)13-10-12-4-1-2-6-15(12)17-11-13/h1-6,9,13,17H,7-8,10-11H2.
What are the key properties of 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 106902776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).