cinnolino[4,3-b]quinoxaline

C14H8N4 — CID 1486802

IUPACcinnolino[4,3-b]quinoxaline
SMILESc1ccc2nc3c(nnc4ccccc43)nc2c1
InChIInChI=1S/C14H8N4/c1-2-6-10-9(5-1)13-14(18-17-10)16-12-8-4-3-7-11(12)15-13/h1-8H
InChIKeyQJVIPBFFRIJDBV-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.73
Rot. Bonds

About cinnolino[4,3-b]quinoxaline

cinnolino[4,3-b]quinoxaline (PubChem CID 1486802) has the molecular formula C14H8N4 and a molecular weight of 232.25 g/mol. Its IUPAC name is cinnolino[4,3-b]quinoxaline.

Molecular Properties

Compound Namecinnolino[4,3-b]quinoxaline
PubChem CID1486802
Molecular FormulaC14H8N4
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Namecinnolino[4,3-b]quinoxaline
SMILESc1ccc2nc3c(nnc4ccccc43)nc2c1
InChIInChI=1S/C14H8N4/c1-2-6-10-9(5-1)13-14(18-17-10)16-12-8-4-3-7-11(12)15-13/h1-8H
InChIKeyQJVIPBFFRIJDBV-UHFFFAOYSA-N
XLogP2.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cinnolino[4,3-b]quinoxaline?
The IUPAC name of cinnolino[4,3-b]quinoxaline (CID 1486802) is cinnolino[4,3-b]quinoxaline.
What is the SMILES notation for cinnolino[4,3-b]quinoxaline?
The canonical SMILES for cinnolino[4,3-b]quinoxaline is c1ccc2nc3c(nnc4ccccc43)nc2c1.
What is the InChIKey of cinnolino[4,3-b]quinoxaline?
The InChIKey is QJVIPBFFRIJDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4/c1-2-6-10-9(5-1)13-14(18-17-10)16-12-8-4-3-7-11(12)15-13/h1-8H.
What are the key properties of cinnolino[4,3-b]quinoxaline?
cinnolino[4,3-b]quinoxaline has a molecular weight of 232.25 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolino[4,3-b]quinoxaline is sourced from PubChem (CID 1486802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).