furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone

C21H12F3NO2 — CID 11474069

IUPACfuran-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1ccoc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C21H12F3NO2/c22-21(23,24)17-8-4-7-15-18(13-5-2-1-3-6-13)16(11-25-19(15)17)20(26)14-9-10-27-12-14/h1-12H
InChIKeyHUGQCGKZMGTYMU-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.74
Rot. Bonds3

About furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone

furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone (PubChem CID 11474069) has the molecular formula C21H12F3NO2 and a molecular weight of 367.33 g/mol. Its IUPAC name is furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
PubChem CID11474069
Molecular FormulaC21H12F3NO2
Molecular Weight367.33 g/mol
Exact Mass367.08
IUPAC Namefuran-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1ccoc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C21H12F3NO2/c22-21(23,24)17-8-4-7-15-18(13-5-2-1-3-6-13)16(11-25-19(15)17)20(26)14-9-10-27-12-14/h1-12H
InChIKeyHUGQCGKZMGTYMU-UHFFFAOYSA-N
XLogP5.74
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The IUPAC name of furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone (CID 11474069) is furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The canonical SMILES for furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone is O=C(c1ccoc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1.
What is the InChIKey of furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The InChIKey is HUGQCGKZMGTYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3NO2/c22-21(23,24)17-8-4-7-15-18(13-5-2-1-3-6-13)16(11-25-19(15)17)20(26)14-9-10-27-12-14/h1-12H.
What are the key properties of furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone has a molecular weight of 367.33 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone is sourced from PubChem (CID 11474069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).