[6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate

C19H21F3N2O3 — CID 11538186

IUPAC[6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate
SMILESCC(=O)OCC1CCCC(C)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H21F3N2O3/c1-11-4-3-5-14(10-27-12(2)25)24(11)13-6-7-17-15(8-13)16(19(20,21)22)9-18(26)23-17/h6-9,11,14H,3-5,10H2,1-2H3,(H,23,26)
InChIKeyUPYIDJJKZIEQRA-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.86
Rot. Bonds3

About [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate

[6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate (PubChem CID 11538186) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate
PubChem CID11538186
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name[6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate
SMILESCC(=O)OCC1CCCC(C)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H21F3N2O3/c1-11-4-3-5-14(10-27-12(2)25)24(11)13-6-7-17-15(8-13)16(19(20,21)22)9-18(26)23-17/h6-9,11,14H,3-5,10H2,1-2H3,(H,23,26)
InChIKeyUPYIDJJKZIEQRA-UHFFFAOYSA-N
XLogP3.86
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[Ethyl(propan-2-yl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9904328
6-(Dipropylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090310
6-(Dibutylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090311
6-[(2R,5R)-2-(hydroxymethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23631256
6-[Butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648053
Ethyl 2-{[2-oxo-4-(trifluoromethyl)-1,2-dihydroquinolin-6-yl](2,2,2-trifluoroethyl)amino}acetate
CID 23648057
(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 10292658
(S,E)-N-(1-(4-fluoro-3-morpholinophenyl)ethyl)-3-(4-fluorophenyl)acrylamide
CID 9799604
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 9903242
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 9946633
(E)-3-(2,4-difluorophenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 10177282
(E)-3-(2,5-difluorophenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 11291708

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate?
The IUPAC name of [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate (CID 11538186) is [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate.
What is the SMILES notation for [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate?
The canonical SMILES for [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate is CC(=O)OCC1CCCC(C)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate?
The InChIKey is UPYIDJJKZIEQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-11-4-3-5-14(10-27-12(2)25)24(11)13-6-7-17-15(8-13)16(19(20,21)22)9-18(26)23-17/h6-9,11,14H,3-5,10H2,1-2H3,(H,23,26).
What are the key properties of [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate?
[6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate has a molecular weight of 382.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl acetate is sourced from PubChem (CID 11538186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).