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

C8H6IN3O — CID 77391520

IUPAC2-amino-6-iodo-6H-quinazolin-4-one
SMILESNC1=NC(=O)C2=CC(I)C=CC2=N1
InChIInChI=1S/C8H6IN3O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H,(H2,10,12,13)
InChIKeyWREGDBVJZBJYIR-UHFFFAOYSA-N
MW287.06 g/mol
LogP0.58
Rot. Bonds

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

2-amino-6-iodo-6H-quinazolin-4-one (PubChem CID 77391520) has the molecular formula C8H6IN3O and a molecular weight of 287.06 g/mol. Its IUPAC name is 2-amino-6-iodo-6H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-iodo-6H-quinazolin-4-one
PubChem CID77391520
Molecular FormulaC8H6IN3O
Molecular Weight287.06 g/mol
Exact Mass286.96
IUPAC Name2-amino-6-iodo-6H-quinazolin-4-one
SMILESNC1=NC(=O)C2=CC(I)C=CC2=N1
InChIInChI=1S/C8H6IN3O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H,(H2,10,12,13)
InChIKeyWREGDBVJZBJYIR-UHFFFAOYSA-N
XLogP0.58
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-quinazolin-4-one
CID 71303964
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
6-iodo-8H-quinazolin-4-one
CID 91423193
6H-quinazolin-4-one
CID 165178648
6-amino-6H-quinazolin-4-one
CID 71303901
6-iodo-6H-quinazolin-4-one
CID 72207379
2-amino-6-bromo-6H-quinazolin-4-one
CID 72739156
2-Amino-6-iodo-8-methylidenequinazolin-4-one
CID 72756568
2-Chloro-6-methylidenequinazolin-4-one
CID 73185632
6-Methylidenequinazolin-4-one
CID 73795355
2-Amino-6-methylidenequinazolin-4-one
CID 76844596

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-iodo-6H-quinazolin-4-one?
The IUPAC name of 2-amino-6-iodo-6H-quinazolin-4-one (CID 77391520) is 2-amino-6-iodo-6H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-iodo-6H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-iodo-6H-quinazolin-4-one is NC1=NC(=O)C2=CC(I)C=CC2=N1.
What is the InChIKey of 2-amino-6-iodo-6H-quinazolin-4-one?
The InChIKey is WREGDBVJZBJYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3O/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-iodo-6H-quinazolin-4-one?
2-amino-6-iodo-6H-quinazolin-4-one has a molecular weight of 287.06 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-iodo-6H-quinazolin-4-one is sourced from PubChem (CID 77391520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).