[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

C24H19NO4S — CID 9456282

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
SMILESO=C1CCc2cc(C(=O)COC(=O)c3cc4c(s3)-c3ccccc3CC4)ccc2N1
InChIInChI=1S/C24H19NO4S/c26-20(16-7-9-19-15(11-16)8-10-22(27)25-19)13-29-24(28)21-12-17-6-5-14-3-1-2-4-18(14)23(17)30-21/h1-4,7,9,11-12H,5-6,8,10,13H2,(H,25,27)
InChIKeyQLVNCMMIZKPDJW-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.44
Rot. Bonds4

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate (PubChem CID 9456282) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
PubChem CID9456282
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
SMILESO=C1CCc2cc(C(=O)COC(=O)c3cc4c(s3)-c3ccccc3CC4)ccc2N1
InChIInChI=1S/C24H19NO4S/c26-20(16-7-9-19-15(11-16)8-10-22(27)25-19)13-29-24(28)21-12-17-6-5-14-3-1-2-4-18(14)23(17)30-21/h1-4,7,9,11-12H,5-6,8,10,13H2,(H,25,27)
InChIKeyQLVNCMMIZKPDJW-UHFFFAOYSA-N
XLogP4.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666581
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 55817918
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 7618941
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 16512709
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
[2-(4-acetamidoanilino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 16512729
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate (CID 9456282) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate is O=C1CCc2cc(C(=O)COC(=O)c3cc4c(s3)-c3ccccc3CC4)ccc2N1.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate?
The InChIKey is QLVNCMMIZKPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c26-20(16-7-9-19-15(11-16)8-10-22(27)25-19)13-29-24(28)21-12-17-6-5-14-3-1-2-4-18(14)23(17)30-21/h1-4,7,9,11-12H,5-6,8,10,13H2,(H,25,27).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate has a molecular weight of 417.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate is sourced from PubChem (CID 9456282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).