7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one

C13H17FN2O2 — CID 79295853

IUPAC7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc2c(cc1F)NC(=O)CN2CC(C)C
InChIInChI=1S/C13H17FN2O2/c1-8(2)6-16-7-13(17)15-10-4-9(14)12(18-3)5-11(10)16/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyJBSSYDCFDUBMTE-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.25
Rot. Bonds3

About 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one

7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79295853) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
PubChem CID79295853
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc2c(cc1F)NC(=O)CN2CC(C)C
InChIInChI=1S/C13H17FN2O2/c1-8(2)6-16-7-13(17)15-10-4-9(14)12(18-3)5-11(10)16/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyJBSSYDCFDUBMTE-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-6-methoxy-4-(2-methylpropyl)-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-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (CID 79295853) is 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is COc1cc2c(cc1F)NC(=O)CN2CC(C)C.
What is the InChIKey of 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is JBSSYDCFDUBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(2)6-16-7-13(17)15-10-4-9(14)12(18-3)5-11(10)16/h4-5,8H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 252.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79295853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).