2-amino-6-bromo-6H-quinazolin-4-one

C8H6BrN3O — CID 72739156

IUPAC2-amino-6-bromo-6H-quinazolin-4-one
SMILESNC1=NC(=O)C2=CC(Br)C=CC2=N1
InChIInChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H,(H2,10,12,13)
InChIKeyIPHIFKUDSSHRHP-UHFFFAOYSA-N
MW240.06 g/mol
LogP0.54
Rot. Bonds

About 2-amino-6-bromo-6H-quinazolin-4-one

2-amino-6-bromo-6H-quinazolin-4-one (PubChem CID 72739156) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-amino-6-bromo-6H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-bromo-6H-quinazolin-4-one
PubChem CID72739156
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name2-amino-6-bromo-6H-quinazolin-4-one
SMILESNC1=NC(=O)C2=CC(Br)C=CC2=N1
InChIInChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H,(H2,10,12,13)
InChIKeyIPHIFKUDSSHRHP-UHFFFAOYSA-N
XLogP0.54
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-bromo-6H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
7-bromo-6H-quinazolin-4-one
CID 91025472
6H-quinazolin-4-one
CID 165178648
6-bromo-6H-quinazolin-4-one
CID 71303925
8-bromo-8H-quinazolin-4-one
CID 71304081
6-bromo-2-chloro-6H-quinazolin-4-one
CID 73300429
8-bromo-2-chloro-8H-quinazolin-4-one
CID 73886761
2-Amino-5-bromo-6-methylidenequinazolin-4-one
CID 75214799
2-amino-8-bromo-8H-quinazolin-4-one
CID 76057176
2-Amino-6-methylidenequinazolin-4-one
CID 76844596
6-bromo-2-methyl-6H-quinazolin-4-one
CID 76844829
6-(bromomethyl)-2-methyl-6H-quinazolin-4-one
CID 76844834

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-6H-quinazolin-4-one?
The IUPAC name of 2-amino-6-bromo-6H-quinazolin-4-one (CID 72739156) is 2-amino-6-bromo-6H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-bromo-6H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-bromo-6H-quinazolin-4-one is NC1=NC(=O)C2=CC(Br)C=CC2=N1.
What is the InChIKey of 2-amino-6-bromo-6H-quinazolin-4-one?
The InChIKey is IPHIFKUDSSHRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H,(H2,10,12,13).
What are the key properties of 2-amino-6-bromo-6H-quinazolin-4-one?
2-amino-6-bromo-6H-quinazolin-4-one has a molecular weight of 240.06 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-6H-quinazolin-4-one is sourced from PubChem (CID 72739156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).