8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid

C11H15N3O2 — CID 84686716

IUPAC8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid
SMILESCN1CCN(C)c2c(N)cc(C(=O)O)cc21
InChIInChI=1S/C11H15N3O2/c1-13-3-4-14(2)10-8(12)5-7(11(15)16)6-9(10)13/h5-6H,3-4,12H2,1-2H3,(H,15,16)
InChIKeyXLQGMKXABACBQI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.85
Rot. Bonds1

About 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid

8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid (PubChem CID 84686716) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid
PubChem CID84686716
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid
SMILESCN1CCN(C)c2c(N)cc(C(=O)O)cc21
InChIInChI=1S/C11H15N3O2/c1-13-3-4-14(2)10-8(12)5-7(11(15)16)6-9(10)13/h5-6H,3-4,12H2,1-2H3,(H,15,16)
InChIKeyXLQGMKXABACBQI-UHFFFAOYSA-N
XLogP0.85
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic 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 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid (CID 84686716) is 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid is CN1CCN(C)c2c(N)cc(C(=O)O)cc21.
What is the InChIKey of 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is XLQGMKXABACBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-3-4-14(2)10-8(12)5-7(11(15)16)6-9(10)13/h5-6H,3-4,12H2,1-2H3,(H,15,16).
What are the key properties of 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid?
8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,4-dimethyl-2,3-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 84686716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).