7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one

C15H8BrF3N2O — CID 58229476

IUPAC7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one
SMILESO=c1cnc2ccc(Br)cc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8BrF3N2O/c16-10-4-5-12-13(7-10)21(14(22)8-20-12)11-3-1-2-9(6-11)15(17,18)19/h1-8H
InChIKeyPYRYTAAEPDHKNL-UHFFFAOYSA-N
MW369.14 g/mol
LogP4.17
Rot. Bonds1

About 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one

7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one (PubChem CID 58229476) has the molecular formula C15H8BrF3N2O and a molecular weight of 369.14 g/mol. Its IUPAC name is 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one
PubChem CID58229476
Molecular FormulaC15H8BrF3N2O
Molecular Weight369.14 g/mol
Exact Mass367.98
IUPAC Name7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one
SMILESO=c1cnc2ccc(Br)cc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8BrF3N2O/c16-10-4-5-12-13(7-10)21(14(22)8-20-12)11-3-1-2-9(6-11)15(17,18)19/h1-8H
InChIKeyPYRYTAAEPDHKNL-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one?
The IUPAC name of 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one (CID 58229476) is 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one?
The canonical SMILES for 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one is O=c1cnc2ccc(Br)cc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one?
The InChIKey is PYRYTAAEPDHKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O/c16-10-4-5-12-13(7-10)21(14(22)8-20-12)11-3-1-2-9(6-11)15(17,18)19/h1-8H.
What are the key properties of 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one?
7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one has a molecular weight of 369.14 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[3-(trifluoromethyl)phenyl]quinoxalin-2-one is sourced from PubChem (CID 58229476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).