2-amino-6-iodo-8-methylidenequinazolin-4-one

C9H6IN3O — CID 72756568

IUPAC2-amino-6-iodo-8-methylidenequinazolin-4-one
SMILESC=c1cc(I)cc2c1=NC(N)=NC2=O
InChIInChI=1S/C9H6IN3O/c1-4-2-5(10)3-6-7(4)12-9(11)13-8(6)14/h2-3H,1H2,(H2,11,13,14)
InChIKeyWVHDQLASKPXWPZ-UHFFFAOYSA-N
MW299.07 g/mol
LogP-0.21
Rot. Bonds

About 2-amino-6-iodo-8-methylidenequinazolin-4-one

2-amino-6-iodo-8-methylidenequinazolin-4-one (PubChem CID 72756568) has the molecular formula C9H6IN3O and a molecular weight of 299.07 g/mol. Its IUPAC name is 2-amino-6-iodo-8-methylidenequinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-iodo-8-methylidenequinazolin-4-one
PubChem CID72756568
Molecular FormulaC9H6IN3O
Molecular Weight299.07 g/mol
Exact Mass298.96
IUPAC Name2-amino-6-iodo-8-methylidenequinazolin-4-one
SMILESC=c1cc(I)cc2c1=NC(N)=NC2=O
InChIInChI=1S/C9H6IN3O/c1-4-2-5(10)3-6-7(4)12-9(11)13-8(6)14/h2-3H,1H2,(H2,11,13,14)
InChIKeyWVHDQLASKPXWPZ-UHFFFAOYSA-N
XLogP-0.21
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.07
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-iodo-8-methylidenequinazolin-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-fluoro-8H-quinazolin-4-one
CID 90734363
6-iodo-8H-quinazolin-4-one
CID 91423193
5-Iodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 141320841
6,13-Diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 141320844
8-iodo-7-methyl-8H-quinazolin-4-one
CID 71304100
8-Methylidenequinazolin-4-one
CID 71304104
8-(Oxomethylidene)quinazolin-4-one
CID 74659851
2-Amino-6-methylidenequinazolin-4-one
CID 76844596
6,8-diiodo-8H-quinazolin-4-one
CID 76844821
2-amino-6-iodo-6H-quinazolin-4-one
CID 77391520
8-iodo-8H-quinazolin-4-one
CID 77519919
2-Chloro-8-methylidenequinazolin-4-one
CID 85483837

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-iodo-8-methylidenequinazolin-4-one?
The IUPAC name of 2-amino-6-iodo-8-methylidenequinazolin-4-one (CID 72756568) is 2-amino-6-iodo-8-methylidenequinazolin-4-one.
What is the SMILES notation for 2-amino-6-iodo-8-methylidenequinazolin-4-one?
The canonical SMILES for 2-amino-6-iodo-8-methylidenequinazolin-4-one is C=c1cc(I)cc2c1=NC(N)=NC2=O.
What is the InChIKey of 2-amino-6-iodo-8-methylidenequinazolin-4-one?
The InChIKey is WVHDQLASKPXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3O/c1-4-2-5(10)3-6-7(4)12-9(11)13-8(6)14/h2-3H,1H2,(H2,11,13,14).
What are the key properties of 2-amino-6-iodo-8-methylidenequinazolin-4-one?
2-amino-6-iodo-8-methylidenequinazolin-4-one has a molecular weight of 299.07 g/mol, XLogP of -0.21, 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-8-methylidenequinazolin-4-one is sourced from PubChem (CID 72756568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).