oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone

C19H20F3N3O2 — CID 171996126

IUPACoxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-3-4-14-15(12-13)23-6-5-16(14)24-7-9-25(10-8-24)18(26)17-2-1-11-27-17/h3-6,12,17H,1-2,7-11H2
InChIKeyJWOJMIBBWIIJHG-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.08
Rot. Bonds2

About oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone

oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (PubChem CID 171996126) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
PubChem CID171996126
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Nameoxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-3-4-14-15(12-13)23-6-5-16(14)24-7-9-25(10-8-24)18(26)17-2-1-11-27-17/h3-6,12,17H,1-2,7-11H2
InChIKeyJWOJMIBBWIIJHG-UHFFFAOYSA-N
XLogP3.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (CID 171996126) is oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The InChIKey is JWOJMIBBWIIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)13-3-4-14-15(12-13)23-6-5-16(14)24-7-9-25(10-8-24)18(26)17-2-1-11-27-17/h3-6,12,17H,1-2,7-11H2.
What are the key properties of oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 171996126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).