2H-benzo[h]cinnolin-3-one

C12H8N2O — CID 10774261

IUPAC2H-benzo[h]cinnolin-3-one
SMILESO=c1cc2ccc3ccccc3c2n[nH]1
InChIInChI=1S/C12H8N2O/c15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-13-11/h1-7H,(H,13,15)
InChIKeyFOULARBWJHLRAO-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.08
Rot. Bonds

About 2H-benzo[h]cinnolin-3-one

2H-benzo[h]cinnolin-3-one (PubChem CID 10774261) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2H-benzo[h]cinnolin-3-one.

Molecular Properties

Compound Name2H-benzo[h]cinnolin-3-one
PubChem CID10774261
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2H-benzo[h]cinnolin-3-one
SMILESO=c1cc2ccc3ccccc3c2n[nH]1
InChIInChI=1S/C12H8N2O/c15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-13-11/h1-7H,(H,13,15)
InChIKeyFOULARBWJHLRAO-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2H-benzo[h]cinnolin-3-one 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 2H-benzo[h]cinnolin-3-one?
The IUPAC name of 2H-benzo[h]cinnolin-3-one (CID 10774261) is 2H-benzo[h]cinnolin-3-one.
What is the SMILES notation for 2H-benzo[h]cinnolin-3-one?
The canonical SMILES for 2H-benzo[h]cinnolin-3-one is O=c1cc2ccc3ccccc3c2n[nH]1.
What is the InChIKey of 2H-benzo[h]cinnolin-3-one?
The InChIKey is FOULARBWJHLRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-13-11/h1-7H,(H,13,15).
What are the key properties of 2H-benzo[h]cinnolin-3-one?
2H-benzo[h]cinnolin-3-one has a molecular weight of 196.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[h]cinnolin-3-one is sourced from PubChem (CID 10774261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).