4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one

C17H10F3NO2 — CID 139235141

IUPAC4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one
SMILESO=C(c1c(-c2ccccc2)c2ccccc2[nH]c1=O)C(F)(F)F
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)15(22)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-16(14)23/h1-9H,(H,21,23)
InChIKeyRZQGOUPTRFSHBP-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.94
Rot. Bonds2

About 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one

4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one (PubChem CID 139235141) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one
PubChem CID139235141
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one
SMILESO=C(c1c(-c2ccccc2)c2ccccc2[nH]c1=O)C(F)(F)F
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)15(22)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-16(14)23/h1-9H,(H,21,23)
InChIKeyRZQGOUPTRFSHBP-UHFFFAOYSA-N
XLogP3.94
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one?
The IUPAC name of 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one (CID 139235141) is 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one?
The canonical SMILES for 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one is O=C(c1c(-c2ccccc2)c2ccccc2[nH]c1=O)C(F)(F)F.
What is the InChIKey of 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one?
The InChIKey is RZQGOUPTRFSHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)15(22)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-16(14)23/h1-9H,(H,21,23).
What are the key properties of 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one?
4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one has a molecular weight of 317.27 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2,2,2-trifluoroacetyl)-1H-quinolin-2-one is sourced from PubChem (CID 139235141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).