piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C20H17F3N4O3 — CID 118273541

IUPACpiperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(OC(F)(F)F)cn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-3-6-18(25-12-15)29-14-2-5-16-13(11-14)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2
InChIKeyQJXZNXQOXMODEI-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.37
Rot. Bonds4

About piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone

piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273541) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273541
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Namepiperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(OC(F)(F)F)cn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-3-6-18(25-12-15)29-14-2-5-16-13(11-14)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2
InChIKeyQJXZNXQOXMODEI-UHFFFAOYSA-N
XLogP3.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273541) is piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3ccc(OC(F)(F)F)cn3)ccc2n1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is QJXZNXQOXMODEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-3-6-18(25-12-15)29-14-2-5-16-13(11-14)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2.
What are the key properties of piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 418.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[6-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).