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

C23H22N4O2S — CID 3207505

IUPAC2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C23H22N4O2S/c1-16-6-7-19-17(12-16)13-18(14-24)23(26-19)30-15-22(28)25-20-4-2-3-5-21(20)27-8-10-29-11-9-27/h2-7,12-13H,8-11,15H2,1H3,(H,25,28)
InChIKeyGNQXSGMBDVUTOI-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.98
Rot. Bonds5

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

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 3207505) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID3207505
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C23H22N4O2S/c1-16-6-7-19-17(12-16)13-18(14-24)23(26-19)30-15-22(28)25-20-4-2-3-5-21(20)27-8-10-29-11-9-27/h2-7,12-13H,8-11,15H2,1H3,(H,25,28)
InChIKeyGNQXSGMBDVUTOI-UHFFFAOYSA-N
XLogP3.98
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.98
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-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 3207505) is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Cc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is GNQXSGMBDVUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-6-7-19-17(12-16)13-18(14-24)23(26-19)30-15-22(28)25-20-4-2-3-5-21(20)27-8-10-29-11-9-27/h2-7,12-13H,8-11,15H2,1H3,(H,25,28).
What are the key properties of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3207505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).