[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate

C24H18N4O5S — CID 2569369

IUPAC[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESNC(=O)c1cc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(C(N)=O)c1
InChIInChI=1S/C24H18N4O5S/c25-22(30)13-8-14(23(26)31)10-15(9-13)27-21(29)12-33-24(32)17-11-19(20-6-3-7-34-20)28-18-5-2-1-4-16(17)18/h1-11H,12H2,(H2,25,30)(H2,26,31)(H,27,29)
InChIKeyMLCBFDQQSXNESN-UHFFFAOYSA-N
MW474.50 g/mol
LogP2.96
Rot. Bonds7

About [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate

[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 2569369) has the molecular formula C24H18N4O5S and a molecular weight of 474.50 g/mol. Its IUPAC name is [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID2569369
Molecular FormulaC24H18N4O5S
Molecular Weight474.50 g/mol
Exact Mass474.10
IUPAC Name[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESNC(=O)c1cc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(C(N)=O)c1
InChIInChI=1S/C24H18N4O5S/c25-22(30)13-8-14(23(26)31)10-15(9-13)27-21(29)12-33-24(32)17-11-19(20-6-3-7-34-20)28-18-5-2-1-4-16(17)18/h1-11H,12H2,(H2,25,30)(H2,26,31)(H,27,29)
InChIKeyMLCBFDQQSXNESN-UHFFFAOYSA-N
XLogP2.96
TPSA154.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2119050
[2-(3-nitroanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2390946
[2-(4-nitroanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23964464
dimethyl 2-[[2-(2-thiophen-2-ylquinoline-4-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2353495
[2-(2,4-dibromoanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23992650
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2344895
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2438459
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23940632
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2129311
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2693325
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 3978971
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate (CID 2569369) is [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate is NC(=O)c1cc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(C(N)=O)c1.
What is the InChIKey of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is MLCBFDQQSXNESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5S/c25-22(30)13-8-14(23(26)31)10-15(9-13)27-21(29)12-33-24(32)17-11-19(20-6-3-7-34-20)28-18-5-2-1-4-16(17)18/h1-11H,12H2,(H2,25,30)(H2,26,31)(H,27,29).
What are the key properties of [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 474.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 2569369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).