formyl 5-hydroxyquinoxaline-6-carboxylate

C10H6N2O4 — CID 174416202

IUPACformyl 5-hydroxyquinoxaline-6-carboxylate
SMILESO=COC(=O)c1ccc2nccnc2c1O
InChIInChI=1S/C10H6N2O4/c13-5-16-10(15)6-1-2-7-8(9(6)14)12-4-3-11-7/h1-5,14H
InChIKeyONTYSKAORRISKE-UHFFFAOYSA-N
MW218.17 g/mol
LogP0.65
Rot. Bonds2

About formyl 5-hydroxyquinoxaline-6-carboxylate

formyl 5-hydroxyquinoxaline-6-carboxylate (PubChem CID 174416202) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is formyl 5-hydroxyquinoxaline-6-carboxylate.

Molecular Properties

Compound Nameformyl 5-hydroxyquinoxaline-6-carboxylate
PubChem CID174416202
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Nameformyl 5-hydroxyquinoxaline-6-carboxylate
SMILESO=COC(=O)c1ccc2nccnc2c1O
InChIInChI=1S/C10H6N2O4/c13-5-16-10(15)6-1-2-7-8(9(6)14)12-4-3-11-7/h1-5,14H
InChIKeyONTYSKAORRISKE-UHFFFAOYSA-N
XLogP0.65
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyl 5-hydroxyquinoxaline-6-carboxylate?
The IUPAC name of formyl 5-hydroxyquinoxaline-6-carboxylate (CID 174416202) is formyl 5-hydroxyquinoxaline-6-carboxylate.
What is the SMILES notation for formyl 5-hydroxyquinoxaline-6-carboxylate?
The canonical SMILES for formyl 5-hydroxyquinoxaline-6-carboxylate is O=COC(=O)c1ccc2nccnc2c1O.
What is the InChIKey of formyl 5-hydroxyquinoxaline-6-carboxylate?
The InChIKey is ONTYSKAORRISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-5-16-10(15)6-1-2-7-8(9(6)14)12-4-3-11-7/h1-5,14H.
What are the key properties of formyl 5-hydroxyquinoxaline-6-carboxylate?
formyl 5-hydroxyquinoxaline-6-carboxylate has a molecular weight of 218.17 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 5-hydroxyquinoxaline-6-carboxylate is sourced from PubChem (CID 174416202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).