4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid

C15H17N3O2 — CID 62033559

IUPAC4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cnc3ccccc3n2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-4,9-11H,5-8H2,(H,17,18)(H,19,20)
InChIKeyWCUWAUGXHZIDGM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.69
Rot. Bonds3

About 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid

4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 62033559) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID62033559
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cnc3ccccc3n2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-4,9-11H,5-8H2,(H,17,18)(H,19,20)
InChIKeyWCUWAUGXHZIDGM-UHFFFAOYSA-N
XLogP2.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(quinoxalin-2-ylamino)cyclohexane-1-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 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid (CID 62033559) is 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cnc3ccccc3n2)CC1.
What is the InChIKey of 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WCUWAUGXHZIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-4,9-11H,5-8H2,(H,17,18)(H,19,20).
What are the key properties of 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62033559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).