sodium 3-carbamoylquinoxaline-2-carboxylate

C10H6N3NaO3 — CID 135044393

IUPACsodium 3-carbamoylquinoxaline-2-carboxylate
SMILESNC(=O)c1nc2ccccc2nc1C(=O)[O-].[Na+]
InChIInChI=1S/C10H7N3O3.Na/c11-9(14)7-8(10(15)16)13-6-4-2-1-3-5(6)12-7;/h1-4H,(H2,11,14)(H,15,16);/q;+1/p-1
InChIKeyMDWMUYWXDWXSBW-UHFFFAOYSA-M
MW239.17 g/mol
LogP-3.90
Rot. Bonds2

About sodium 3-carbamoylquinoxaline-2-carboxylate

sodium 3-carbamoylquinoxaline-2-carboxylate (PubChem CID 135044393) has the molecular formula C10H6N3NaO3 and a molecular weight of 239.17 g/mol. Its IUPAC name is sodium 3-carbamoylquinoxaline-2-carboxylate.

Molecular Properties

Compound Namesodium 3-carbamoylquinoxaline-2-carboxylate
PubChem CID135044393
Molecular FormulaC10H6N3NaO3
Molecular Weight239.17 g/mol
Exact Mass239.03
IUPAC Namesodium 3-carbamoylquinoxaline-2-carboxylate
SMILESNC(=O)c1nc2ccccc2nc1C(=O)[O-].[Na+]
InChIInChI=1S/C10H7N3O3.Na/c11-9(14)7-8(10(15)16)13-6-4-2-1-3-5(6)12-7;/h1-4H,(H2,11,14)(H,15,16);/q;+1/p-1
InChIKeyMDWMUYWXDWXSBW-UHFFFAOYSA-M
XLogP-3.90
TPSA109.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 5-3.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 3-carbamoylquinoxaline-2-carboxylate?
The IUPAC name of sodium 3-carbamoylquinoxaline-2-carboxylate (CID 135044393) is sodium 3-carbamoylquinoxaline-2-carboxylate.
What is the SMILES notation for sodium 3-carbamoylquinoxaline-2-carboxylate?
The canonical SMILES for sodium 3-carbamoylquinoxaline-2-carboxylate is NC(=O)c1nc2ccccc2nc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 3-carbamoylquinoxaline-2-carboxylate?
The InChIKey is MDWMUYWXDWXSBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7N3O3.Na/c11-9(14)7-8(10(15)16)13-6-4-2-1-3-5(6)12-7;/h1-4H,(H2,11,14)(H,15,16);/q;+1/p-1.
What are the key properties of sodium 3-carbamoylquinoxaline-2-carboxylate?
sodium 3-carbamoylquinoxaline-2-carboxylate has a molecular weight of 239.17 g/mol, XLogP of -3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-carbamoylquinoxaline-2-carboxylate is sourced from PubChem (CID 135044393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).