(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate

C19H15Cl2NO2S — CID 7175283

IUPAC(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate
SMILESCc1cc(SCC(=O)OCc2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C19H15Cl2NO2S/c1-12-8-18(22-17-5-3-2-4-15(12)17)25-11-19(23)24-10-13-6-7-14(20)9-16(13)21/h2-9H,10-11H2,1H3
InChIKeyAEGWDZMIUBVZPJ-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.69
Rot. Bonds5

About (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate

(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate (PubChem CID 7175283) has the molecular formula C19H15Cl2NO2S and a molecular weight of 392.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate
PubChem CID7175283
Molecular FormulaC19H15Cl2NO2S
Molecular Weight392.31 g/mol
Exact Mass391.02
IUPAC Name(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate
SMILESCc1cc(SCC(=O)OCc2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C19H15Cl2NO2S/c1-12-8-18(22-17-5-3-2-4-15(12)17)25-11-19(23)24-10-13-6-7-14(20)9-16(13)21/h2-9H,10-11H2,1H3
InChIKeyAEGWDZMIUBVZPJ-UHFFFAOYSA-N
XLogP5.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate (CID 7175283) is (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate is Cc1cc(SCC(=O)OCc2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate?
The InChIKey is AEGWDZMIUBVZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2S/c1-12-8-18(22-17-5-3-2-4-15(12)17)25-11-19(23)24-10-13-6-7-14(20)9-16(13)21/h2-9H,10-11H2,1H3.
What are the key properties of (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate?
(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate has a molecular weight of 392.31 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate is sourced from PubChem (CID 7175283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).