7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one

C15H8F3NO — CID 21114820

IUPAC7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(-c3ccc(F)c(F)c3F)ccc12
InChIInChI=1S/C15H8F3NO/c16-11-4-3-9(14(17)15(11)18)8-1-2-10-12(7-8)19-6-5-13(10)20/h1-7H,(H,19,20)
InChIKeySIYYUGJLIUFRLD-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.61
Rot. Bonds1

About 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one

7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one (PubChem CID 21114820) has the molecular formula C15H8F3NO and a molecular weight of 275.23 g/mol. Its IUPAC name is 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one
PubChem CID21114820
Molecular FormulaC15H8F3NO
Molecular Weight275.23 g/mol
Exact Mass275.06
IUPAC Name7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(-c3ccc(F)c(F)c3F)ccc12
InChIInChI=1S/C15H8F3NO/c16-11-4-3-9(14(17)15(11)18)8-1-2-10-12(7-8)19-6-5-13(10)20/h1-7H,(H,19,20)
InChIKeySIYYUGJLIUFRLD-UHFFFAOYSA-N
XLogP3.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one?
The IUPAC name of 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one (CID 21114820) is 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one.
What is the SMILES notation for 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one?
The canonical SMILES for 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one is O=c1cc[nH]c2cc(-c3ccc(F)c(F)c3F)ccc12.
What is the InChIKey of 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one?
The InChIKey is SIYYUGJLIUFRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO/c16-11-4-3-9(14(17)15(11)18)8-1-2-10-12(7-8)19-6-5-13(10)20/h1-7H,(H,19,20).
What are the key properties of 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one?
7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one has a molecular weight of 275.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one is sourced from PubChem (CID 21114820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).