2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

C18H16N2O2S — CID 2083100

IUPAC2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(N)=O)nc2c1
InChIInChI=1S/C18H16N2O2S/c1-22-13-7-8-14-15(12-5-3-2-4-6-12)10-18(20-16(14)9-13)23-11-17(19)21/h2-10H,11H2,1H3,(H2,19,21)
InChIKeyXPPIUHIMGCWDRR-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.49
Rot. Bonds5

About 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (PubChem CID 2083100) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
PubChem CID2083100
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(N)=O)nc2c1
InChIInChI=1S/C18H16N2O2S/c1-22-13-7-8-14-15(12-5-3-2-4-6-12)10-18(20-16(14)9-13)23-11-17(19)21/h2-10H,11H2,1H3,(H2,19,21)
InChIKeyXPPIUHIMGCWDRR-UHFFFAOYSA-N
XLogP3.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (CID 2083100) is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is COc1ccc2c(-c3ccccc3)cc(SCC(N)=O)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The InChIKey is XPPIUHIMGCWDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-13-7-8-14-15(12-5-3-2-4-6-12)10-18(20-16(14)9-13)23-11-17(19)21/h2-10H,11H2,1H3,(H2,19,21).
What are the key properties of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide has a molecular weight of 324.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2083100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).