[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate

C18H16N2O3S — CID 2122837

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C18H16N2O3S/c1-12-9-15(14-6-2-3-7-16(14)20-12)18(22)23-11-17(21)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyOUXOSXKNDIXZNL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.08
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2122837) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID2122837
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C18H16N2O3S/c1-12-9-15(14-6-2-3-7-16(14)20-12)18(22)23-11-17(21)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyOUXOSXKNDIXZNL-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-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

Related Compounds

N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
Methyl 2-thien-2-ylquinoline-4-carboxylate
CID 3577080
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3442697
[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3498238
[2-(Cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 3652497
[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 4025382
[2-(Cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 5028859
3-[[[2-(3-Methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 1220098
Phenyl-[(2-thiophen-2-yl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10179239

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate (CID 2122837) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)NCc2cccs2)c2ccccc2n1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is OUXOSXKNDIXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-9-15(14-6-2-3-7-16(14)20-12)18(22)23-11-17(21)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2122837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).