2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid

C10H11FN2O2 — CID 83848758

IUPAC2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)CN1CCNc2ccc(F)cc21
InChIInChI=1S/C10H11FN2O2/c11-7-1-2-8-9(5-7)13(4-3-12-8)6-10(14)15/h1-2,5,12H,3-4,6H2,(H,14,15)
InChIKeyGKKWJEMSRMGVOL-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.14
Rot. Bonds2

About 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid

2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid (PubChem CID 83848758) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
PubChem CID83848758
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)CN1CCNc2ccc(F)cc21
InChIInChI=1S/C10H11FN2O2/c11-7-1-2-8-9(5-7)13(4-3-12-8)6-10(14)15/h1-2,5,12H,3-4,6H2,(H,14,15)
InChIKeyGKKWJEMSRMGVOL-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid 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 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid (CID 83848758) is 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid is O=C(O)CN1CCNc2ccc(F)cc21.
What is the InChIKey of 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
The InChIKey is GKKWJEMSRMGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-7-1-2-8-9(5-7)13(4-3-12-8)6-10(14)15/h1-2,5,12H,3-4,6H2,(H,14,15).
What are the key properties of 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid has a molecular weight of 210.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid is sourced from PubChem (CID 83848758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).