2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C23H22N4O2S — CID 3207678

IUPAC2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCOCC3)nc12
InChIInChI=1S/C23H22N4O2S/c1-16-5-4-6-17-13-18(14-24)23(26-22(16)17)30-15-21(28)25-19-7-2-3-8-20(19)27-9-11-29-12-10-27/h2-8,13H,9-12,15H2,1H3,(H,25,28)
InChIKeyLXQYZCXZZJFWBO-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.98
Rot. Bonds5

About 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 3207678) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID3207678
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCOCC3)nc12
InChIInChI=1S/C23H22N4O2S/c1-16-5-4-6-17-13-18(14-24)23(26-22(16)17)30-15-21(28)25-19-7-2-3-8-20(19)27-9-11-29-12-10-27/h2-8,13H,9-12,15H2,1H3,(H,25,28)
InChIKeyLXQYZCXZZJFWBO-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

Analyze 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Cyano-6-isopropyl-quinolin-2-ylsulfanyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 24792499
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
2-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethylsulfanyl]-5,8-dimethyl-quinoline-3-carbonitrile
CID 1374613
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
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 16030497
N-(2-Ethylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332613
1-Morpholin-4-yl-2-(7,8,9,10-tetrahydro-phenanthridin-6-ylsulfanyl)-ethanone
CID 24762129

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 3207678) is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCOCC3)nc12.
What is the InChIKey of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is LXQYZCXZZJFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-5-4-6-17-13-18(14-24)23(26-22(16)17)30-15-21(28)25-19-7-2-3-8-20(19)27-9-11-29-12-10-27/h2-8,13H,9-12,15H2,1H3,(H,25,28).
What are the key properties of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(3-cyano-8-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-8-methylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3207678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).