3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid

C10H12N2O2 — CID 10330209

IUPAC3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid
SMILESCc1nc2c(nc1C(=O)O)CCCC2
InChIInChI=1S/C10H12N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H2,1H3,(H,13,14)
InChIKeyUYSKSJUBMTZUOR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.36
Rot. Bonds1

About 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid

3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid (PubChem CID 10330209) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid
PubChem CID10330209
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid
SMILESCc1nc2c(nc1C(=O)O)CCCC2
InChIInChI=1S/C10H12N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H2,1H3,(H,13,14)
InChIKeyUYSKSJUBMTZUOR-UHFFFAOYSA-N
XLogP1.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-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 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid (CID 10330209) is 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid is Cc1nc2c(nc1C(=O)O)CCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid?
The InChIKey is UYSKSJUBMTZUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid?
3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid is sourced from PubChem (CID 10330209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).