3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid

C14H13N3O4 — CID 104614138

IUPAC3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cccc2nccnc12
InChIInChI=1S/C14H13N3O4/c18-12(17-14(13(19)20)4-7-21-8-14)9-2-1-3-10-11(9)16-6-5-15-10/h1-3,5-6H,4,7-8H2,(H,17,18)(H,19,20)
InChIKeyMYVANSHXNPUQTM-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.60
Rot. Bonds3

About 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid

3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 104614138) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid
PubChem CID104614138
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cccc2nccnc12
InChIInChI=1S/C14H13N3O4/c18-12(17-14(13(19)20)4-7-21-8-14)9-2-1-3-10-11(9)16-6-5-15-10/h1-3,5-6H,4,7-8H2,(H,17,18)(H,19,20)
InChIKeyMYVANSHXNPUQTM-UHFFFAOYSA-N
XLogP0.60
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(quinoxaline-5-carbonylamino)oxolane-3-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-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid (CID 104614138) is 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cccc2nccnc12.
What is the InChIKey of 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is MYVANSHXNPUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12(17-14(13(19)20)4-7-21-8-14)9-2-1-3-10-11(9)16-6-5-15-10/h1-3,5-6H,4,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid?
3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 104614138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).