2-amino-5-bromo-3H-quinazolin-4-one

C8H6BrN3O — CID 135704457

IUPAC2-amino-5-bromo-3H-quinazolin-4-one
SMILESNc1nc2cccc(Br)c2c(=O)[nH]1
InChIInChI=1S/C8H6BrN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3H,(H3,10,11,12,13)
InChIKeyWABUXSHYCDPHKN-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.27
Rot. Bonds

About 2-amino-5-bromo-3H-quinazolin-4-one

2-amino-5-bromo-3H-quinazolin-4-one (PubChem CID 135704457) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-amino-5-bromo-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-5-bromo-3H-quinazolin-4-one
PubChem CID135704457
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name2-amino-5-bromo-3H-quinazolin-4-one
SMILESNc1nc2cccc(Br)c2c(=O)[nH]1
InChIInChI=1S/C8H6BrN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3H,(H3,10,11,12,13)
InChIKeyWABUXSHYCDPHKN-UHFFFAOYSA-N
XLogP1.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3H-quinazolin-4-one?
The IUPAC name of 2-amino-5-bromo-3H-quinazolin-4-one (CID 135704457) is 2-amino-5-bromo-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-5-bromo-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-5-bromo-3H-quinazolin-4-one is Nc1nc2cccc(Br)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-3H-quinazolin-4-one?
The InChIKey is WABUXSHYCDPHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3H,(H3,10,11,12,13).
What are the key properties of 2-amino-5-bromo-3H-quinazolin-4-one?
2-amino-5-bromo-3H-quinazolin-4-one has a molecular weight of 240.06 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3H-quinazolin-4-one is sourced from PubChem (CID 135704457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).