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

C19H16F3N3O2 — CID 4534723

IUPACfuran-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-12-15(13-4-1-2-5-14(13)23-17)24-7-9-25(10-8-24)18(26)16-6-3-11-27-16/h1-6,11-12H,7-10H2
InChIKeyLCPIUMMSOORRJA-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.81
Rot. Bonds2

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

furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (PubChem CID 4534723) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
PubChem CID4534723
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Namefuran-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-12-15(13-4-1-2-5-14(13)23-17)24-7-9-25(10-8-24)18(26)16-6-3-11-27-16/h1-6,11-12H,7-10H2
InChIKeyLCPIUMMSOORRJA-UHFFFAOYSA-N
XLogP3.81
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone (CID 4534723) is furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
The InChIKey is LCPIUMMSOORRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)17-12-15(13-4-1-2-5-14(13)23-17)24-7-9-25(10-8-24)18(26)16-6-3-11-27-16/h1-6,11-12H,7-10H2.
What are the key properties of furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone has a molecular weight of 375.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 4534723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).