N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide

C19H19N3O3S — CID 4781530

IUPACN-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3S/c1-2-22(12-18(24)20-11-13-6-5-9-26-13)19(25)15-10-17(23)21-16-8-4-3-7-14(15)16/h3-10H,2,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyIHZSTGPFYNUKOR-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide

N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide (PubChem CID 4781530) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide
PubChem CID4781530
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3S/c1-2-22(12-18(24)20-11-13-6-5-9-26-13)19(25)15-10-17(23)21-16-8-4-3-7-14(15)16/h3-10H,2,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyIHZSTGPFYNUKOR-UHFFFAOYSA-N
XLogP2.37
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
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N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-9H-xanthene-9-carboxamide
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N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
5-(benzylsulfamoyl)-N-ethyl-2-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 24981155
2-[ethyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 9014733
(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
CID 8008983
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4782385
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
4-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 8960886
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17489195

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide (CID 4781530) is N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide?
The InChIKey is IHZSTGPFYNUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-22(12-18(24)20-11-13-6-5-9-26-13)19(25)15-10-17(23)21-16-8-4-3-7-14(15)16/h3-10H,2,11-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide?
N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4781530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).