3-phenoxyquinoxaline-2-carboxylic acid

C15H10N2O3 — CID 13004258

IUPAC3-phenoxyquinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1Oc1ccccc1
InChIInChI=1S/C15H10N2O3/c18-15(19)13-14(20-10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)16-13/h1-9H,(H,18,19)
InChIKeyAQCJVVOQBAPCPA-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.12
Rot. Bonds3

About 3-phenoxyquinoxaline-2-carboxylic acid

3-phenoxyquinoxaline-2-carboxylic acid (PubChem CID 13004258) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-phenoxyquinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name3-phenoxyquinoxaline-2-carboxylic acid
PubChem CID13004258
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name3-phenoxyquinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1Oc1ccccc1
InChIInChI=1S/C15H10N2O3/c18-15(19)13-14(20-10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)16-13/h1-9H,(H,18,19)
InChIKeyAQCJVVOQBAPCPA-UHFFFAOYSA-N
XLogP3.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxyquinoxaline-2-carboxylic acid?
The IUPAC name of 3-phenoxyquinoxaline-2-carboxylic acid (CID 13004258) is 3-phenoxyquinoxaline-2-carboxylic acid.
What is the SMILES notation for 3-phenoxyquinoxaline-2-carboxylic acid?
The canonical SMILES for 3-phenoxyquinoxaline-2-carboxylic acid is O=C(O)c1nc2ccccc2nc1Oc1ccccc1.
What is the InChIKey of 3-phenoxyquinoxaline-2-carboxylic acid?
The InChIKey is AQCJVVOQBAPCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15(19)13-14(20-10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)16-13/h1-9H,(H,18,19).
What are the key properties of 3-phenoxyquinoxaline-2-carboxylic acid?
3-phenoxyquinoxaline-2-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyquinoxaline-2-carboxylic acid is sourced from PubChem (CID 13004258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).