1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one

C26H16F3NO2 — CID 166443035

IUPAC1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one
SMILESO=c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C26H16F3NO2/c27-26(28,29)21-12-6-4-11-19(21)23-14-15-24(32-23)20-16-25(31)30(17-8-2-1-3-9-17)22-13-7-5-10-18(20)22/h1-16H
InChIKeyRSIWIKVUAONEBR-UHFFFAOYSA-N
MW431.41 g/mol
LogP6.94
Rot. Bonds3

About 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one

1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one (PubChem CID 166443035) has the molecular formula C26H16F3NO2 and a molecular weight of 431.41 g/mol. Its IUPAC name is 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one
PubChem CID166443035
Molecular FormulaC26H16F3NO2
Molecular Weight431.41 g/mol
Exact Mass431.11
IUPAC Name1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one
SMILESO=c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C26H16F3NO2/c27-26(28,29)21-12-6-4-11-19(21)23-14-15-24(32-23)20-16-25(31)30(17-8-2-1-3-9-17)22-13-7-5-10-18(20)22/h1-16H
InChIKeyRSIWIKVUAONEBR-UHFFFAOYSA-N
XLogP6.94
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
9-phenyl-1-[3-[5-[3-(9-phenylcarbazol-1-yl)phenyl]furan-2-yl]phenyl]carbazole
CID 71127207
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267862
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62500368
1-[2-(hydroxymethyl)phenyl]-4-(trifluoromethyl)quinolin-2-one
CID 22279153
4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one
CID 110273820
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
CID 174910528
2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386767
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
1-hydroxy-4-(trifluoromethyl)quinolin-2-one
CID 141055492
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one?
The IUPAC name of 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one (CID 166443035) is 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one.
What is the SMILES notation for 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one?
The canonical SMILES for 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one is O=c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one?
The InChIKey is RSIWIKVUAONEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F3NO2/c27-26(28,29)21-12-6-4-11-19(21)23-14-15-24(32-23)20-16-25(31)30(17-8-2-1-3-9-17)22-13-7-5-10-18(20)22/h1-16H.
What are the key properties of 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one?
1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one has a molecular weight of 431.41 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinolin-2-one is sourced from PubChem (CID 166443035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).