4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one

C16H10F3NO2 — CID 54737898

IUPAC4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(O)c1-c1ccccc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)10-6-7-12-11(8-10)14(21)13(15(22)20-12)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22)
InChIKeyBYUZXMRGVGBBPG-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.92
Rot. Bonds1

About 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one

4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 54737898) has the molecular formula C16H10F3NO2 and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID54737898
Molecular FormulaC16H10F3NO2
Molecular Weight305.25 g/mol
Exact Mass305.07
IUPAC Name4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(O)c1-c1ccccc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)10-6-7-12-11(8-10)14(21)13(15(22)20-12)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22)
InChIKeyBYUZXMRGVGBBPG-UHFFFAOYSA-N
XLogP3.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one (CID 54737898) is 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is BYUZXMRGVGBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)10-6-7-12-11(8-10)14(21)13(15(22)20-12)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22).
What are the key properties of 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 305.25 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 54737898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).