1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid

C13H16N2O2 — CID 83840875

IUPAC1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
SMILESCC1CNc2cc(C(=O)O)ccc2N1C1CC1
InChIInChI=1S/C13H16N2O2/c1-8-7-14-11-6-9(13(16)17)2-5-12(11)15(8)10-3-4-10/h2,5-6,8,10,14H,3-4,7H2,1H3,(H,16,17)
InChIKeySERHZXLMPJFYRP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.17
Rot. Bonds2

About 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid

1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid (PubChem CID 83840875) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
PubChem CID83840875
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
SMILESCC1CNc2cc(C(=O)O)ccc2N1C1CC1
InChIInChI=1S/C13H16N2O2/c1-8-7-14-11-6-9(13(16)17)2-5-12(11)15(8)10-3-4-10/h2,5-6,8,10,14H,3-4,7H2,1H3,(H,16,17)
InChIKeySERHZXLMPJFYRP-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-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 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid (CID 83840875) is 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid is CC1CNc2cc(C(=O)O)ccc2N1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
The InChIKey is SERHZXLMPJFYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-7-14-11-6-9(13(16)17)2-5-12(11)15(8)10-3-4-10/h2,5-6,8,10,14H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 83840875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).