2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C24H24N4O2S — CID 1450315

IUPAC2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCOCC3)nc2c1
InChIInChI=1S/C24H24N4O2S/c1-16-11-17(2)19-13-18(14-25)24(27-21(19)12-16)31-15-23(29)26-20-5-3-4-6-22(20)28-7-9-30-10-8-28/h3-6,11-13H,7-10,15H2,1-2H3,(H,26,29)
InChIKeyHNRYCUALUYUKPK-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.29
Rot. Bonds5

About 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1450315) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1450315
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCOCC3)nc2c1
InChIInChI=1S/C24H24N4O2S/c1-16-11-17(2)19-13-18(14-25)24(27-21(19)12-16)31-15-23(29)26-20-5-3-4-6-22(20)28-7-9-30-10-8-28/h3-6,11-13H,7-10,15H2,1-2H3,(H,26,29)
InChIKeyHNRYCUALUYUKPK-UHFFFAOYSA-N
XLogP4.29
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide with MolForge

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Related Compounds

2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 43811398
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1171997
N-(4-acetylphenyl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450283
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5,7-dimethylquinoline-3-carbonitrile
CID 1450236
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169576
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1450319
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442832
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3264830
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 1450315) is 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCOCC3)nc2c1.
What is the InChIKey of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is HNRYCUALUYUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-16-11-17(2)19-13-18(14-25)24(27-21(19)12-16)31-15-23(29)26-20-5-3-4-6-22(20)28-7-9-30-10-8-28/h3-6,11-13H,7-10,15H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1450315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).