2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C24H24N4O2S — CID 3207568

IUPAC2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCCc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C24H24N4O2S/c1-2-17-7-8-20-18(13-17)14-19(15-25)24(27-20)31-16-23(29)26-21-5-3-4-6-22(21)28-9-11-30-12-10-28/h3-8,13-14H,2,9-12,16H2,1H3,(H,26,29)
InChIKeyQGXRNGSGLCGRMX-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.24
Rot. Bonds6

About 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 3207568) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID3207568
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCCc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C24H24N4O2S/c1-2-17-7-8-20-18(13-17)14-19(15-25)24(27-20)31-16-23(29)26-21-5-3-4-6-22(21)28-9-11-30-12-10-28/h3-8,13-14H,2,9-12,16H2,1H3,(H,26,29)
InChIKeyQGXRNGSGLCGRMX-UHFFFAOYSA-N
XLogP4.24
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 3207568) is 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is CCc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is QGXRNGSGLCGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-17-7-8-20-18(13-17)14-19(15-25)24(27-20)31-16-23(29)26-21-5-3-4-6-22(21)28-9-11-30-12-10-28/h3-8,13-14H,2,9-12,16H2,1H3,(H,26,29).
What are the key properties of 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3207568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).