4-methyl-2,3-dihydro-1H-quinoxalin-5-ol

C9H12N2O — CID 115094963

IUPAC4-methyl-2,3-dihydro-1H-quinoxalin-5-ol
SMILESCN1CCNc2cccc(O)c21
InChIInChI=1S/C9H12N2O/c1-11-6-5-10-7-3-2-4-8(12)9(7)11/h2-4,10,12H,5-6H2,1H3
InChIKeyXEPKQROGCBVSJH-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.25
Rot. Bonds

About 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol

4-methyl-2,3-dihydro-1H-quinoxalin-5-ol (PubChem CID 115094963) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-quinoxalin-5-ol
PubChem CID115094963
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-methyl-2,3-dihydro-1H-quinoxalin-5-ol
SMILESCN1CCNc2cccc(O)c21
InChIInChI=1S/C9H12N2O/c1-11-6-5-10-7-3-2-4-8(12)9(7)11/h2-4,10,12H,5-6H2,1H3
InChIKeyXEPKQROGCBVSJH-UHFFFAOYSA-N
XLogP1.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol 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 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol?
The IUPAC name of 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol (CID 115094963) is 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol is CN1CCNc2cccc(O)c21.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol?
The InChIKey is XEPKQROGCBVSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-6-5-10-7-3-2-4-8(12)9(7)11/h2-4,10,12H,5-6H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol?
4-methyl-2,3-dihydro-1H-quinoxalin-5-ol has a molecular weight of 164.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol is sourced from PubChem (CID 115094963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).