7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one

C12H14BrFN2O — CID 155021153

IUPAC7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(F)CCN1CC(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C12H14BrFN2O/c1-8(14)4-5-16-7-12(17)15-10-6-9(13)2-3-11(10)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
InChIKeyFPXQZYYLASGOQA-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.96
Rot. Bonds3

About 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one

7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 155021153) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one
PubChem CID155021153
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(F)CCN1CC(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C12H14BrFN2O/c1-8(14)4-5-16-7-12(17)15-10-6-9(13)2-3-11(10)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
InChIKeyFPXQZYYLASGOQA-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-4-(3-fluorobutyl)-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-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one (CID 155021153) is 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one is CC(F)CCN1CC(=O)Nc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is FPXQZYYLASGOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-8(14)4-5-16-7-12(17)15-10-6-9(13)2-3-11(10)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one?
7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 301.16 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(3-fluorobutyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 155021153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).