2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one

C16H10F3NO — CID 10266162

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H10F3NO/c17-16(18,19)11-7-5-10(6-8-11)14-9-15(21)12-3-1-2-4-13(12)20-14/h1-9H,(H,20,21)
InChIKeyLGTGACXAWLRXHK-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.21
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one

2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one (PubChem CID 10266162) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one
PubChem CID10266162
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H10F3NO/c17-16(18,19)11-7-5-10(6-8-11)14-9-15(21)12-3-1-2-4-13(12)20-14/h1-9H,(H,20,21)
InChIKeyLGTGACXAWLRXHK-UHFFFAOYSA-N
XLogP4.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Phenylamino-1,4-naphthoquinone
CID 81124
2-Phenyl-4-oxohydroquinoline
CID 161091
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
2-Methylquinolin-4-ol
CID 69089
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
7-(Trifluorophenyl)quinolin-4-ol
CID 67582
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one (CID 10266162) is 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
The InChIKey is LGTGACXAWLRXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-16(18,19)11-7-5-10(6-8-11)14-9-15(21)12-3-1-2-4-13(12)20-14/h1-9H,(H,20,21).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one has a molecular weight of 289.26 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 10266162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).