5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C21H21F3N2O3 — CID 154852522

IUPAC5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2O)N1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)15-6-2-1-5-12(15)17-8-4-10-26(17)20(29)14-11-13-16(25-19(14)28)7-3-9-18(13)27/h1-2,5-6,11,17-18,27H,3-4,7-10H2,(H,25,28)
InChIKeyFIVLEVYBLBJEOX-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.74
Rot. Bonds2

About 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 154852522) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID154852522
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Name5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2O)N1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)15-6-2-1-5-12(15)17-8-4-10-26(17)20(29)14-11-13-16(25-19(14)28)7-3-9-18(13)27/h1-2,5-6,11,17-18,27H,3-4,7-10H2,(H,25,28)
InChIKeyFIVLEVYBLBJEOX-UHFFFAOYSA-N
XLogP3.74
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 126824521
cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 95290891
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 146085152
3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71893548
2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 67435354
1-[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]pyrazole-4-carboxylic acid
CID 146108561
[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate
CID 174931684
3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 154865870
3-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]propan-1-one;hydrochloride
CID 67435313
4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 87400026
[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride
CID 67434066
3-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 67434013

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 154852522) is 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=C(c1cc2c([nH]c1=O)CCCC2O)N1CCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FIVLEVYBLBJEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c22-21(23,24)15-6-2-1-5-12(15)17-8-4-10-26(17)20(29)14-11-13-16(25-19(14)28)7-3-9-18(13)27/h1-2,5-6,11,17-18,27H,3-4,7-10H2,(H,25,28).
What are the key properties of 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 406.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 154852522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).