3-amino-2H-benzo[f]quinazolin-1-one

C12H9N3O — CID 135527705

IUPAC3-amino-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2ccc3ccccc3c2c(=O)[nH]1
InChIInChI=1S/C12H9N3O/c13-12-14-9-6-5-7-3-1-2-4-8(7)10(9)11(16)15-12/h1-6H,(H3,13,14,15,16)
InChIKeyZMIUJNZPUYHCIH-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.66
Rot. Bonds

About 3-amino-2H-benzo[f]quinazolin-1-one

3-amino-2H-benzo[f]quinazolin-1-one (PubChem CID 135527705) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-2H-benzo[f]quinazolin-1-one
PubChem CID135527705
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-amino-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2ccc3ccccc3c2c(=O)[nH]1
InChIInChI=1S/C12H9N3O/c13-12-14-9-6-5-7-3-1-2-4-8(7)10(9)11(16)15-12/h1-6H,(H3,13,14,15,16)
InChIKeyZMIUJNZPUYHCIH-UHFFFAOYSA-N
XLogP1.66
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2H-benzo[f]quinazolin-1-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 3-amino-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-2H-benzo[f]quinazolin-1-one (CID 135527705) is 3-amino-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-2H-benzo[f]quinazolin-1-one is Nc1nc2ccc3ccccc3c2c(=O)[nH]1.
What is the InChIKey of 3-amino-2H-benzo[f]quinazolin-1-one?
The InChIKey is ZMIUJNZPUYHCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-12-14-9-6-5-7-3-1-2-4-8(7)10(9)11(16)15-12/h1-6H,(H3,13,14,15,16).
What are the key properties of 3-amino-2H-benzo[f]quinazolin-1-one?
3-amino-2H-benzo[f]quinazolin-1-one has a molecular weight of 211.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135527705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).