[2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C20H17F3N2O2 — CID 25162300

IUPAC[2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)13-5-3-9-25(12-13)19(26)15-11-17(18-8-4-10-27-18)24-16-7-2-1-6-14(15)16/h1-2,4,6-8,10-11,13H,3,5,9,12H2
InChIKeyAAQWVVWFTZDBFD-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.91
Rot. Bonds2

About [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 25162300) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID25162300
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name[2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)13-5-3-9-25(12-13)19(26)15-11-17(18-8-4-10-27-18)24-16-7-2-1-6-14(15)16/h1-2,4,6-8,10-11,13H,3,5,9,12H2
InChIKeyAAQWVVWFTZDBFD-UHFFFAOYSA-N
XLogP4.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 25162300) is [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is AAQWVVWFTZDBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)13-5-3-9-25(12-13)19(26)15-11-17(18-8-4-10-27-18)24-16-7-2-1-6-14(15)16/h1-2,4,6-8,10-11,13H,3,5,9,12H2.
What are the key properties of [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 374.36 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25162300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).