2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

C23H27N3OS — CID 40713888

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1cccs1)N1CCCC1
InChIInChI=1S/C23H27N3OS/c1-16-18-8-3-4-9-20(18)25-17(2)19(16)14-23(27)24-15-21(22-10-7-13-28-22)26-11-5-6-12-26/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyIRRUNVBRNPYYES-NRFANRHFSA-N
MW393.56 g/mol
LogP4.41
Rot. Bonds6

About 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 40713888) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
PubChem CID40713888
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1cccs1)N1CCCC1
InChIInChI=1S/C23H27N3OS/c1-16-18-8-3-4-9-20(18)25-17(2)19(16)14-23(27)24-15-21(22-10-7-13-28-22)26-11-5-6-12-26/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyIRRUNVBRNPYYES-NRFANRHFSA-N
XLogP4.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide with MolForge

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Related Compounds

2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 24640484
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31405313
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 46438075
2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17412718
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 37217772

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (CID 40713888) is 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1cccs1)N1CCCC1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is IRRUNVBRNPYYES-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-16-18-8-3-4-9-20(18)25-17(2)19(16)14-23(27)24-15-21(22-10-7-13-28-22)26-11-5-6-12-26/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3,(H,24,27)/t21-/m0/s1.
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 393.56 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 40713888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).