2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C18H22N2OS — CID 26516865

IUPAC2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)NCCc1cccs1
InChIInChI=1S/C18H22N2OS/c1-14-8-9-15-5-2-3-7-17(15)20(14)13-18(21)19-11-10-16-6-4-12-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMSJVFGKWCCYGTG-CQSZACIVSA-N
MW314.45 g/mol
LogP3.25
Rot. Bonds5

About 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 26516865) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID26516865
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)NCCc1cccs1
InChIInChI=1S/C18H22N2OS/c1-14-8-9-15-5-2-3-7-17(15)20(14)13-18(21)19-11-10-16-6-4-12-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMSJVFGKWCCYGTG-CQSZACIVSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98553310
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8724601
2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8724940
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51930856
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 51535849
2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 64980594
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 42569123
2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 42649730
N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 26516865) is 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is C[C@@H]1CCc2ccccc2N1CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is MSJVFGKWCCYGTG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-8-9-15-5-2-3-7-17(15)20(14)13-18(21)19-11-10-16-6-4-12-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 314.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 26516865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).