2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide

C20H20N2O2S — CID 2081497

IUPAC2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C)C)nc2c1
InChIInChI=1S/C20H20N2O2S/c1-22(2)20(23)13-25-19-12-17(14-7-5-4-6-8-14)16-10-9-15(24-3)11-18(16)21-19/h4-12H,13H2,1-3H3
InChIKeyWJTRLITUFVXRQH-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.09
Rot. Bonds5

About 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide

2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 2081497) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID2081497
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C)C)nc2c1
InChIInChI=1S/C20H20N2O2S/c1-22(2)20(23)13-25-19-12-17(14-7-5-4-6-8-14)16-10-9-15(24-3)11-18(16)21-19/h4-12H,13H2,1-3H3
InChIKeyWJTRLITUFVXRQH-UHFFFAOYSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide (CID 2081497) is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide is COc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C)C)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is WJTRLITUFVXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-22(2)20(23)13-25-19-12-17(14-7-5-4-6-8-14)16-10-9-15(24-3)11-18(16)21-19/h4-12H,13H2,1-3H3.
What are the key properties of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide?
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 352.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 2081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).