3H-pyrimido[4,5-f]cinnolin-2-one

C10H6N4O — CID 67544162

IUPAC3H-pyrimido[4,5-f]cinnolin-2-one
SMILESO=c1nc2c(ccc3nnccc32)c[nH]1
InChIInChI=1S/C10H6N4O/c15-10-11-5-6-1-2-8-7(9(6)13-10)3-4-12-14-8/h1-5H,(H,11,13,15)
InChIKeyLNTZTQLOOZHUQK-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.87
Rot. Bonds

About 3H-pyrimido[4,5-f]cinnolin-2-one

3H-pyrimido[4,5-f]cinnolin-2-one (PubChem CID 67544162) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3H-pyrimido[4,5-f]cinnolin-2-one.

Molecular Properties

Compound Name3H-pyrimido[4,5-f]cinnolin-2-one
PubChem CID67544162
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Name3H-pyrimido[4,5-f]cinnolin-2-one
SMILESO=c1nc2c(ccc3nnccc32)c[nH]1
InChIInChI=1S/C10H6N4O/c15-10-11-5-6-1-2-8-7(9(6)13-10)3-4-12-14-8/h1-5H,(H,11,13,15)
InChIKeyLNTZTQLOOZHUQK-UHFFFAOYSA-N
XLogP0.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3H-pyrimido[4,5-f]cinnolin-2-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 3H-pyrimido[4,5-f]cinnolin-2-one?
The IUPAC name of 3H-pyrimido[4,5-f]cinnolin-2-one (CID 67544162) is 3H-pyrimido[4,5-f]cinnolin-2-one.
What is the SMILES notation for 3H-pyrimido[4,5-f]cinnolin-2-one?
The canonical SMILES for 3H-pyrimido[4,5-f]cinnolin-2-one is O=c1nc2c(ccc3nnccc32)c[nH]1.
What is the InChIKey of 3H-pyrimido[4,5-f]cinnolin-2-one?
The InChIKey is LNTZTQLOOZHUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c15-10-11-5-6-1-2-8-7(9(6)13-10)3-4-12-14-8/h1-5H,(H,11,13,15).
What are the key properties of 3H-pyrimido[4,5-f]cinnolin-2-one?
3H-pyrimido[4,5-f]cinnolin-2-one has a molecular weight of 198.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrimido[4,5-f]cinnolin-2-one is sourced from PubChem (CID 67544162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).