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

C25H29F3N4O2 — CID 26516896

IUPAC2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C25H29F3N4O2/c1-18-10-11-19-6-2-5-9-22(19)32(18)17-24(34)31-14-12-30(13-15-31)16-23(33)29-21-8-4-3-7-20(21)25(26,27)28/h2-9,18H,10-17H2,1H3,(H,29,33)/t18-/m0/s1
InChIKeyKPVQQTVGEJWRKK-SFHVURJKSA-N
MW474.53 g/mol
LogP3.63
Rot. Bonds5

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

2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 26516896) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID26516896
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C25H29F3N4O2/c1-18-10-11-19-6-2-5-9-22(19)32(18)17-24(34)31-14-12-30(13-15-31)16-23(33)29-21-8-4-3-7-20(21)25(26,27)28/h2-9,18H,10-17H2,1H3,(H,29,33)/t18-/m0/s1
InChIKeyKPVQQTVGEJWRKK-SFHVURJKSA-N
XLogP3.63
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8686273
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78822355
2-[4-[2-(cyanomethylsulfanyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39933397
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547623
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 26516896) is 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KPVQQTVGEJWRKK-SFHVURJKSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c1-18-10-11-19-6-2-5-9-22(19)32(18)17-24(34)31-14-12-30(13-15-31)16-23(33)29-21-8-4-3-7-20(21)25(26,27)28/h2-9,18H,10-17H2,1H3,(H,29,33)/t18-/m0/s1.
What are the key properties of 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 474.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26516896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).