4-fluoro-1-methyl-3H-quinoxalin-2-one

C9H9FN2O — CID 156700555

IUPAC4-fluoro-1-methyl-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(F)c2ccccc21
InChIInChI=1S/C9H9FN2O/c1-11-7-4-2-3-5-8(7)12(10)6-9(11)13/h2-5H,6H2,1H3
InChIKeyVUEDTCAGIJVZAI-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.35
Rot. Bonds

About 4-fluoro-1-methyl-3H-quinoxalin-2-one

4-fluoro-1-methyl-3H-quinoxalin-2-one (PubChem CID 156700555) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-fluoro-1-methyl-3H-quinoxalin-2-one
PubChem CID156700555
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name4-fluoro-1-methyl-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(F)c2ccccc21
InChIInChI=1S/C9H9FN2O/c1-11-7-4-2-3-5-8(7)12(10)6-9(11)13/h2-5H,6H2,1H3
InChIKeyVUEDTCAGIJVZAI-UHFFFAOYSA-N
XLogP1.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3H-quinoxalin-2-one?
The IUPAC name of 4-fluoro-1-methyl-3H-quinoxalin-2-one (CID 156700555) is 4-fluoro-1-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-fluoro-1-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 4-fluoro-1-methyl-3H-quinoxalin-2-one is CN1C(=O)CN(F)c2ccccc21.
What is the InChIKey of 4-fluoro-1-methyl-3H-quinoxalin-2-one?
The InChIKey is VUEDTCAGIJVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-11-7-4-2-3-5-8(7)12(10)6-9(11)13/h2-5H,6H2,1H3.
What are the key properties of 4-fluoro-1-methyl-3H-quinoxalin-2-one?
4-fluoro-1-methyl-3H-quinoxalin-2-one has a molecular weight of 180.18 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 156700555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).