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

C24H21F3N4O3 — CID 166456460

IUPAC5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)no4)CC3)nc12
InChIInChI=1S/C24H21F3N4O3/c1-32-19-7-3-4-15-8-9-20(28-21(15)19)31-12-10-16(11-13-31)23-29-22(30-34-23)17-5-2-6-18(14-17)33-24(25,26)27/h2-9,14,16H,10-13H2,1H3
InChIKeyZMCVCGIKTRLZCL-UHFFFAOYSA-N
MW470.45 g/mol
LogP5.58
Rot. Bonds5

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

5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 166456460) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID166456460
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCOc1cccc2ccc(N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)no4)CC3)nc12
InChIInChI=1S/C24H21F3N4O3/c1-32-19-7-3-4-15-8-9-20(28-21(15)19)31-12-10-16(11-13-31)23-29-22(30-34-23)17-5-2-6-18(14-17)33-24(25,26)27/h2-9,14,16H,10-13H2,1H3
InChIKeyZMCVCGIKTRLZCL-UHFFFAOYSA-N
XLogP5.58
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 166456460) is 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is COc1cccc2ccc(N3CCC(c4nc(-c5cccc(OC(F)(F)F)c5)no4)CC3)nc12.
What is the InChIKey of 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZMCVCGIKTRLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-32-19-7-3-4-15-8-9-20(28-21(15)19)31-12-10-16(11-13-31)23-29-22(30-34-23)17-5-2-6-18(14-17)33-24(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-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 470.45 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-methoxyquinolin-2-yl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166456460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).