2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one

C8H5BrFN3O — CID 137262270

IUPAC2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one
SMILESNc1nc2cc(Br)c(F)cc2c(=O)[nH]1
InChIInChI=1S/C8H5BrFN3O/c9-4-2-6-3(1-5(4)10)7(14)13-8(11)12-6/h1-2H,(H3,11,12,13,14)
InChIKeyMLJQEWIKIKGWQF-UHFFFAOYSA-N
MW258.05 g/mol
LogP1.41
Rot. Bonds

About 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one

2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one (PubChem CID 137262270) has the molecular formula C8H5BrFN3O and a molecular weight of 258.05 g/mol. Its IUPAC name is 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one
PubChem CID137262270
Molecular FormulaC8H5BrFN3O
Molecular Weight258.05 g/mol
Exact Mass256.96
IUPAC Name2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one
SMILESNc1nc2cc(Br)c(F)cc2c(=O)[nH]1
InChIInChI=1S/C8H5BrFN3O/c9-4-2-6-3(1-5(4)10)7(14)13-8(11)12-6/h1-2H,(H3,11,12,13,14)
InChIKeyMLJQEWIKIKGWQF-UHFFFAOYSA-N
XLogP1.41
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one?
The IUPAC name of 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one (CID 137262270) is 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one is Nc1nc2cc(Br)c(F)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one?
The InChIKey is MLJQEWIKIKGWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3O/c9-4-2-6-3(1-5(4)10)7(14)13-8(11)12-6/h1-2H,(H3,11,12,13,14).
What are the key properties of 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one?
2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one has a molecular weight of 258.05 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-bromo-6-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 137262270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).