pyrazino[2,3-b]quinoline

C11H7N3 — CID 70431198

IUPACpyrazino[2,3-b]quinoline
SMILESc1ccc2nc3nccnc3cc2c1
InChIInChI=1S/C11H7N3/c1-2-4-9-8(3-1)7-10-11(14-9)13-6-5-12-10/h1-7H
InChIKeyDOYZUIVFHBHIPX-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About pyrazino[2,3-b]quinoline

pyrazino[2,3-b]quinoline (PubChem CID 70431198) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is pyrazino[2,3-b]quinoline.

Molecular Properties

Compound Namepyrazino[2,3-b]quinoline
PubChem CID70431198
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Namepyrazino[2,3-b]quinoline
SMILESc1ccc2nc3nccnc3cc2c1
InChIInChI=1S/C11H7N3/c1-2-4-9-8(3-1)7-10-11(14-9)13-6-5-12-10/h1-7H
InChIKeyDOYZUIVFHBHIPX-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze pyrazino[2,3-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrazino[2,3-b]quinoline?
The IUPAC name of pyrazino[2,3-b]quinoline (CID 70431198) is pyrazino[2,3-b]quinoline.
What is the SMILES notation for pyrazino[2,3-b]quinoline?
The canonical SMILES for pyrazino[2,3-b]quinoline is c1ccc2nc3nccnc3cc2c1.
What is the InChIKey of pyrazino[2,3-b]quinoline?
The InChIKey is DOYZUIVFHBHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-4-9-8(3-1)7-10-11(14-9)13-6-5-12-10/h1-7H.
What are the key properties of pyrazino[2,3-b]quinoline?
pyrazino[2,3-b]quinoline has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[2,3-b]quinoline is sourced from PubChem (CID 70431198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).