6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one

C13H14BrFN2O — CID 139404656

IUPAC6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCC1C(=O)N(C)c2c(F)cc(Br)cc2N1C1CC1
InChIInChI=1S/C13H14BrFN2O/c1-7-13(18)16(2)12-10(15)5-8(14)6-11(12)17(7)9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyGVYGWHSMPFVXBE-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.92
Rot. Bonds1

About 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one

6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one (PubChem CID 139404656) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one
PubChem CID139404656
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCC1C(=O)N(C)c2c(F)cc(Br)cc2N1C1CC1
InChIInChI=1S/C13H14BrFN2O/c1-7-13(18)16(2)12-10(15)5-8(14)6-11(12)17(7)9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyGVYGWHSMPFVXBE-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-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 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one?
The IUPAC name of 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one (CID 139404656) is 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one is CC1C(=O)N(C)c2c(F)cc(Br)cc2N1C1CC1.
What is the InChIKey of 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one?
The InChIKey is GVYGWHSMPFVXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-7-13(18)16(2)12-10(15)5-8(14)6-11(12)17(7)9-3-4-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one?
6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one has a molecular weight of 313.17 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-cyclopropyl-8-fluoro-1,3-dimethyl-3H-quinoxalin-2-one is sourced from PubChem (CID 139404656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).