pyrido[2,3-g]quinoxaline-2-carboxylic acid

C12H7N3O2 — CID 67024086

IUPACpyrido[2,3-g]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1cnc2cc3ncccc3cc2n1
InChIInChI=1S/C12H7N3O2/c16-12(17)11-6-14-9-5-8-7(2-1-3-13-8)4-10(9)15-11/h1-6H,(H,16,17)
InChIKeyMSNYVDJQRBYJDP-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.88
Rot. Bonds1

About pyrido[2,3-g]quinoxaline-2-carboxylic acid

pyrido[2,3-g]quinoxaline-2-carboxylic acid (PubChem CID 67024086) has the molecular formula C12H7N3O2 and a molecular weight of 225.21 g/mol. Its IUPAC name is pyrido[2,3-g]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Namepyrido[2,3-g]quinoxaline-2-carboxylic acid
PubChem CID67024086
Molecular FormulaC12H7N3O2
Molecular Weight225.21 g/mol
Exact Mass225.05
IUPAC Namepyrido[2,3-g]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1cnc2cc3ncccc3cc2n1
InChIInChI=1S/C12H7N3O2/c16-12(17)11-6-14-9-5-8-7(2-1-3-13-8)4-10(9)15-11/h1-6H,(H,16,17)
InChIKeyMSNYVDJQRBYJDP-UHFFFAOYSA-N
XLogP1.88
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-g]quinoxaline-2-carboxylic acid?
The IUPAC name of pyrido[2,3-g]quinoxaline-2-carboxylic acid (CID 67024086) is pyrido[2,3-g]quinoxaline-2-carboxylic acid.
What is the SMILES notation for pyrido[2,3-g]quinoxaline-2-carboxylic acid?
The canonical SMILES for pyrido[2,3-g]quinoxaline-2-carboxylic acid is O=C(O)c1cnc2cc3ncccc3cc2n1.
What is the InChIKey of pyrido[2,3-g]quinoxaline-2-carboxylic acid?
The InChIKey is MSNYVDJQRBYJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O2/c16-12(17)11-6-14-9-5-8-7(2-1-3-13-8)4-10(9)15-11/h1-6H,(H,16,17).
What are the key properties of pyrido[2,3-g]quinoxaline-2-carboxylic acid?
pyrido[2,3-g]quinoxaline-2-carboxylic acid has a molecular weight of 225.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-g]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 67024086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).