[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

C20H20N2O3S — CID 18091686

IUPAC[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OC(C)C(=O)NCc3cccs3)c2c1
InChIInChI=1S/C20H20N2O3S/c1-12-6-7-18-16(9-12)17(10-13(2)22-18)20(24)25-14(3)19(23)21-11-15-5-4-8-26-15/h4-10,14H,11H2,1-3H3,(H,21,23)
InChIKeyUXELYCAGGLMXFF-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.77
Rot. Bonds5

About [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate (PubChem CID 18091686) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate
PubChem CID18091686
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OC(C)C(=O)NCc3cccs3)c2c1
InChIInChI=1S/C20H20N2O3S/c1-12-6-7-18-16(9-12)17(10-13(2)22-18)20(24)25-14(3)19(23)21-11-15-5-4-8-26-15/h4-10,14H,11H2,1-3H3,(H,21,23)
InChIKeyUXELYCAGGLMXFF-UHFFFAOYSA-N
XLogP3.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 31543502
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 18091779
[1-(tert-butylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 18091676
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959157
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 18100278
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8958733
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
CID 30978765
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8960142
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9003153
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-methylfuran-2-carboxylate
CID 47011570
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
The IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate (CID 18091686) is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
The canonical SMILES for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate is Cc1ccc2nc(C)cc(C(=O)OC(C)C(=O)NCc3cccs3)c2c1.
What is the InChIKey of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
The InChIKey is UXELYCAGGLMXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-12-6-7-18-16(9-12)17(10-13(2)22-18)20(24)25-14(3)19(23)21-11-15-5-4-8-26-15/h4-10,14H,11H2,1-3H3,(H,21,23).
What are the key properties of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 18091686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).