7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one

C11H12BrFN2O — CID 79296582

IUPAC7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCCN1CC(=O)Nc2cc(Br)c(F)cc21
InChIInChI=1S/C11H12BrFN2O/c1-2-3-15-6-11(16)14-9-4-7(12)8(13)5-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyUGXXCMIJUULUBB-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.76
Rot. Bonds2

About 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one

7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one (PubChem CID 79296582) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one
PubChem CID79296582
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCCN1CC(=O)Nc2cc(Br)c(F)cc21
InChIInChI=1S/C11H12BrFN2O/c1-2-3-15-6-11(16)14-9-4-7(12)8(13)5-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyUGXXCMIJUULUBB-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one (CID 79296582) is 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one is CCCN1CC(=O)Nc2cc(Br)c(F)cc21.
What is the InChIKey of 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is UGXXCMIJUULUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-2-3-15-6-11(16)14-9-4-7(12)8(13)5-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one?
7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 287.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-4-propyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79296582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).