3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one

C12H8F3NO2 — CID 58281407

IUPAC3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2cccc(C(F)(F)F)c2c1=O
InChIInChI=1S/C12H8F3NO2/c1-6(17)7-5-16-9-4-2-3-8(12(13,14)15)10(9)11(7)18/h2-5H,1H3,(H,16,18)
InChIKeyUVSGQQQNSYPJFO-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.75
Rot. Bonds1

About 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one

3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 58281407) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID58281407
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2cccc(C(F)(F)F)c2c1=O
InChIInChI=1S/C12H8F3NO2/c1-6(17)7-5-16-9-4-2-3-8(12(13,14)15)10(9)11(7)18/h2-5H,1H3,(H,16,18)
InChIKeyUVSGQQQNSYPJFO-UHFFFAOYSA-N
XLogP2.75
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one (CID 58281407) is 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one is CC(=O)c1c[nH]c2cccc(C(F)(F)F)c2c1=O.
What is the InChIKey of 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is UVSGQQQNSYPJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-6(17)7-5-16-9-4-2-3-8(12(13,14)15)10(9)11(7)18/h2-5H,1H3,(H,16,18).
What are the key properties of 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one?
3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 255.19 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 58281407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).