2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C19H21N3O2S — CID 1450319

IUPAC2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(C)c2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2c1
InChIInChI=1S/C19H21N3O2S/c1-12-6-13(2)16-8-14(9-20)19(22-17(16)7-12)25-11-18(23)21-10-15-4-3-5-24-15/h6-8,15H,3-5,10-11H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyPTIUOOGAIXCAHX-OAHLLOKOSA-N
MW355.46 g/mol
LogP3.11
Rot. Bonds5

About 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 1450319) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID1450319
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(C)c2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2c1
InChIInChI=1S/C19H21N3O2S/c1-12-6-13(2)16-8-14(9-20)19(22-17(16)7-12)25-11-18(23)21-10-15-4-3-5-24-15/h6-8,15H,3-5,10-11H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyPTIUOOGAIXCAHX-OAHLLOKOSA-N
XLogP3.11
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3780179
2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41084350
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41481386
(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide
CID 7434796
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1450315
2-(2-methylquinazolin-4-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7145707
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2124643
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2500205
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 1450319) is 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1cc(C)c2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2c1.
What is the InChIKey of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is PTIUOOGAIXCAHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-6-13(2)16-8-14(9-20)19(22-17(16)7-12)25-11-18(23)21-10-15-4-3-5-24-15/h6-8,15H,3-5,10-11H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1450319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).