quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C19H17F3N4O2 — CID 129488386

IUPACquinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2c1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)10-16-24-25-17(28-16)15-7-3-4-8-26(15)18(27)13-9-12-5-1-2-6-14(12)23-11-13/h1-2,5-6,9,11,15H,3-4,7-8,10H2/t15-/m1/s1
InChIKeyWTKSBHPYZBAOBP-OAHLLOKOSA-N
MW390.37 g/mol
LogP4.09
Rot. Bonds3

About quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129488386) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID129488386
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Namequinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2c1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)10-16-24-25-17(28-16)15-7-3-4-8-26(15)18(27)13-9-12-5-1-2-6-14(12)23-11-13/h1-2,5-6,9,11,15H,3-4,7-8,10H2/t15-/m1/s1
InChIKeyWTKSBHPYZBAOBP-OAHLLOKOSA-N
XLogP4.09
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 129488386) is quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1cnc2ccccc2c1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1.
What is the InChIKey of quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is WTKSBHPYZBAOBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)10-16-24-25-17(28-16)15-7-3-4-8-26(15)18(27)13-9-12-5-1-2-6-14(12)23-11-13/h1-2,5-6,9,11,15H,3-4,7-8,10H2/t15-/m1/s1.
What are the key properties of quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 390.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129488386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).