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

C9H14Cl2N2O — CID 155820248

IUPAC4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride
SMILESCN1CCNc2cccc(O)c21.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-11-6-5-10-7-3-2-4-8(12)9(7)11;;/h2-4,10,12H,5-6H2,1H3;2*1H
InChIKeyLEGPURJXFFOTBR-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.10
Rot. Bonds

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

4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride (PubChem CID 155820248) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride
PubChem CID155820248
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride
SMILESCN1CCNc2cccc(O)c21.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-11-6-5-10-7-3-2-4-8(12)9(7)11;;/h2-4,10,12H,5-6H2,1H3;2*1H
InChIKeyLEGPURJXFFOTBR-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride 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;dihydrochloride?
The IUPAC name of 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride (CID 155820248) is 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride is CN1CCNc2cccc(O)c21.Cl.Cl.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride?
The InChIKey is LEGPURJXFFOTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c1-11-6-5-10-7-3-2-4-8(12)9(7)11;;/h2-4,10,12H,5-6H2,1H3;2*1H.
What are the key properties of 4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride?
4-methyl-2,3-dihydro-1H-quinoxalin-5-ol;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 2.10, 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;dihydrochloride is sourced from PubChem (CID 155820248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).