2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H25N3O2 — CID 41336235

IUPAC2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H25N3O2/c1-16-11-12-17-6-2-3-9-20(17)25(16)15-21(26)23-18-7-4-8-19(14-18)24-13-5-10-22(24)27/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyPPSPOZYKHCVWSZ-INIZCTEOSA-N
MW363.46 g/mol
LogP3.59
Rot. Bonds4

About 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 41336235) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID41336235
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H25N3O2/c1-16-11-12-17-6-2-3-9-20(17)25(16)15-21(26)23-18-7-4-8-19(14-18)24-13-5-10-22(24)27/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyPPSPOZYKHCVWSZ-INIZCTEOSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-2,3-dihydroindol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46657873
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8724831
N-cyclopropyl-3-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 24566735
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724718
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36680308
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46596271
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17449983
1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
CID 119909551
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 41336235) is 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is PPSPOZYKHCVWSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-11-12-17-6-2-3-9-20(17)25(16)15-21(26)23-18-7-4-8-19(14-18)24-13-5-10-22(24)27/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 41336235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).