2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C22H20N4O2S — CID 648877

IUPAC2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESN#Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H20N4O2S/c23-14-17-13-16-5-1-2-6-18(16)25-22(17)29-15-21(27)24-19-7-3-4-8-20(19)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,27)
InChIKeyMNZAQCDWFYHSAJ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.67
Rot. Bonds5

About 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 648877) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID648877
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESN#Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H20N4O2S/c23-14-17-13-16-5-1-2-6-18(16)25-22(17)29-15-21(27)24-19-7-3-4-8-20(19)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,27)
InChIKeyMNZAQCDWFYHSAJ-UHFFFAOYSA-N
XLogP3.67
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-Methyl-2-[2-oxo-2-(3-oxo-3,4-dihydro-2H-quinoxalin-1-yl)-ethylsulfanyl]-quinoline-3-carbonitrile
CID 644956
2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 646655
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-methylquinoline-3-carbonitrile
CID 1092234
6,8-Dimethyl-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylquinoline-3-carbonitrile
CID 1450163
2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 3207505
2-(3-Cyano-6-ethyl-quinolin-2-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 3207568
2-(3-Cyano-8-methyl-quinolin-2-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 3207678
2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3665415
2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]-N-(3-cyanophenyl)acetamide
CID 5299230
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-1-(piperidin-1-YL)ethan-1-one
CID 16030465
N-(2-Ethylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332613

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 648877) is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is MNZAQCDWFYHSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c23-14-17-13-16-5-1-2-6-18(16)25-22(17)29-15-21(27)24-19-7-3-4-8-20(19)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,27).
What are the key properties of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 404.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 648877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).