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

C18H22N2OS — CID 98553310

IUPAC2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C18H22N2OS/c1-13-9-10-15-6-3-4-7-16(15)20(13)12-18(21)19-14(2)17-8-5-11-22-17/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyFXLOZPSAWBTUOI-ZIAGYGMSSA-N
MW314.45 g/mol
LogP3.77
Rot. Bonds4

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

2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 98553310) 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-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID98553310
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C18H22N2OS/c1-13-9-10-15-6-3-4-7-16(15)20(13)12-18(21)19-14(2)17-8-5-11-22-17/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyFXLOZPSAWBTUOI-ZIAGYGMSSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 98716008
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8724940
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8724601
N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313
N-(cyclohexylcarbamoyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8593716
N-[1-(4-chlorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 42883636

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 98553310) is 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide is C[C@@H]1CCc2ccccc2N1CC(=O)N[C@H](C)c1cccs1.
What is the InChIKey of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is FXLOZPSAWBTUOI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-9-10-15-6-3-4-7-16(15)20(13)12-18(21)19-14(2)17-8-5-11-22-17/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 314.45 g/mol, XLogP of 3.77, 4 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-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 98553310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).