3-amino-6,8-dibromo-2-methylquinazolin-4-one

C9H7Br2N3O — CID 13479537

IUPAC3-amino-6,8-dibromo-2-methylquinazolin-4-one
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1N
InChIInChI=1S/C9H7Br2N3O/c1-4-13-8-6(9(15)14(4)12)2-5(10)3-7(8)11/h2-3H,12H2,1H3
InChIKeyUHTFEUZQHUMEIG-UHFFFAOYSA-N
MW332.98 g/mol
LogP1.94
Rot. Bonds

About 3-amino-6,8-dibromo-2-methylquinazolin-4-one

3-amino-6,8-dibromo-2-methylquinazolin-4-one (PubChem CID 13479537) has the molecular formula C9H7Br2N3O and a molecular weight of 332.98 g/mol. Its IUPAC name is 3-amino-6,8-dibromo-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-amino-6,8-dibromo-2-methylquinazolin-4-one
PubChem CID13479537
Molecular FormulaC9H7Br2N3O
Molecular Weight332.98 g/mol
Exact Mass330.90
IUPAC Name3-amino-6,8-dibromo-2-methylquinazolin-4-one
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1N
InChIInChI=1S/C9H7Br2N3O/c1-4-13-8-6(9(15)14(4)12)2-5(10)3-7(8)11/h2-3H,12H2,1H3
InChIKeyUHTFEUZQHUMEIG-UHFFFAOYSA-N
XLogP1.94
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,8-dibromo-2-methylquinazolin-4-one?
The IUPAC name of 3-amino-6,8-dibromo-2-methylquinazolin-4-one (CID 13479537) is 3-amino-6,8-dibromo-2-methylquinazolin-4-one.
What is the SMILES notation for 3-amino-6,8-dibromo-2-methylquinazolin-4-one?
The canonical SMILES for 3-amino-6,8-dibromo-2-methylquinazolin-4-one is Cc1nc2c(Br)cc(Br)cc2c(=O)n1N.
What is the InChIKey of 3-amino-6,8-dibromo-2-methylquinazolin-4-one?
The InChIKey is UHTFEUZQHUMEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3O/c1-4-13-8-6(9(15)14(4)12)2-5(10)3-7(8)11/h2-3H,12H2,1H3.
What are the key properties of 3-amino-6,8-dibromo-2-methylquinazolin-4-one?
3-amino-6,8-dibromo-2-methylquinazolin-4-one has a molecular weight of 332.98 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,8-dibromo-2-methylquinazolin-4-one is sourced from PubChem (CID 13479537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).