piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C20H17F3N4O2 — CID 118273597

IUPACpiperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3cccc(C(F)(F)F)n3)ccc2n1)N1CCNCC1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)17-2-1-3-18(26-17)29-14-5-7-15-13(12-14)4-6-16(25-15)19(28)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2
InChIKeyAJUUAPCYEULXLY-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.49
Rot. Bonds3

About piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273597) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273597
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Namepiperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3cccc(C(F)(F)F)n3)ccc2n1)N1CCNCC1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)17-2-1-3-18(26-17)29-14-5-7-15-13(12-14)4-6-16(25-15)19(28)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2
InChIKeyAJUUAPCYEULXLY-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273597) is piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3cccc(C(F)(F)F)n3)ccc2n1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is AJUUAPCYEULXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c21-20(22,23)17-2-1-3-18(26-17)29-14-5-7-15-13(12-14)4-6-16(25-15)19(28)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2.
What are the key properties of piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 402.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).