5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C24H21F3N4O2 — CID 166456470

IUPAC5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)nc12
InChIInChI=1S/C24H21F3N4O2/c1-32-19-7-3-4-15-8-9-20(28-21(15)19)31-12-10-16(11-13-31)23-29-22(30-33-23)17-5-2-6-18(14-17)24(25,26)27/h2-9,14,16H,10-13H2,1H3
InChIKeyGMNNXBVEOYMGTH-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.70
Rot. Bonds4

About 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 166456470) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID166456470
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)nc12
InChIInChI=1S/C24H21F3N4O2/c1-32-19-7-3-4-15-8-9-20(28-21(15)19)31-12-10-16(11-13-31)23-29-22(30-33-23)17-5-2-6-18(14-17)24(25,26)27/h2-9,14,16H,10-13H2,1H3
InChIKeyGMNNXBVEOYMGTH-UHFFFAOYSA-N
XLogP5.70
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 44629295
N-(2-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56658549
N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56682550
N-(2-methoxyphenyl)-4-(5-quinolin-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 56662002
N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56662005
N-(2-methoxyphenyl)-N-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56682551
3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[4-[[(3R)-oxan-3-yl]amino]piperidin-1-yl]-6-(trifluoromethoxy)quinoline-8-carbonitrile
CID 135329072
1-(8-(2-((2,4-Difluorophenyl)amino)-2-oxoethoxy)quinolin-2-yl)piperidine-4-carboxamide
CID 16826763
2-(Pyrrolidin-1-yl)-8-((3-(trifluoromethyl)benzyl)oxy)quinoline
CID 18570660
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 56665498
N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 56665632
N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 56675785

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 166456470) is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1cccc2ccc(N3CCC(c4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)nc12.
What is the InChIKey of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is GMNNXBVEOYMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-32-19-7-3-4-15-8-9-20(28-21(15)19)31-12-10-16(11-13-31)23-29-22(30-33-23)17-5-2-6-18(14-17)24(25,26)27/h2-9,14,16H,10-13H2,1H3.
What are the key properties of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 454.45 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166456470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).