methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate

C24H19NO2S — CID 73356894

IUPACmethyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate
SMILESCOC(=O)CSc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c1-27-21(26)16-28-24-22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)25-23(24)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyRPIIXITXQXTZAR-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.83
Rot. Bonds5

About methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate

methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate (PubChem CID 73356894) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate
PubChem CID73356894
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Namemethyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate
SMILESCOC(=O)CSc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c1-27-21(26)16-28-24-22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)25-23(24)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyRPIIXITXQXTZAR-UHFFFAOYSA-N
XLogP5.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate?
The IUPAC name of methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate (CID 73356894) is methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate is COC(=O)CSc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate?
The InChIKey is RPIIXITXQXTZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c1-27-21(26)16-28-24-22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)25-23(24)18-12-6-3-7-13-18/h2-15H,16H2,1H3.
What are the key properties of methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate?
methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate has a molecular weight of 385.49 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate is sourced from PubChem (CID 73356894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).