6-bromo-8H-quinazolin-4-one

C8H5BrN2O — CID 91607100

IUPAC6-bromo-8H-quinazolin-4-one
SMILESO=C1N=CN=C2CC=C(Br)C=C12
InChIInChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2
InChIKeyJDKQXUNWDAUGQS-UHFFFAOYSA-N
MW225.04 g/mol
LogP1.60
Rot. Bonds

About 6-bromo-8H-quinazolin-4-one

6-bromo-8H-quinazolin-4-one (PubChem CID 91607100) has the molecular formula C8H5BrN2O and a molecular weight of 225.04 g/mol. Its IUPAC name is 6-bromo-8H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-8H-quinazolin-4-one
PubChem CID91607100
Molecular FormulaC8H5BrN2O
Molecular Weight225.04 g/mol
Exact Mass223.96
IUPAC Name6-bromo-8H-quinazolin-4-one
SMILESO=C1N=CN=C2CC=C(Br)C=C12
InChIInChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2
InChIKeyJDKQXUNWDAUGQS-UHFFFAOYSA-N
XLogP1.60
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
8-fluoro-8H-quinazolin-4-one
CID 76845720
8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
CID 146674855
6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
6-bromo-8H-1,2,3-benzotriazin-4-one
CID 57012449
7-bromo-6H-quinazolin-4-one
CID 91025472
6-chloro-8H-quinazolin-4-one
CID 91196558
6-iodo-8H-quinazolin-4-one
CID 91423193
6,7-dimethyl-8H-quinazolin-4-one
CID 123737560
Cyclopenta[g]quinazolin-4-one
CID 160715150

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8H-quinazolin-4-one?
The IUPAC name of 6-bromo-8H-quinazolin-4-one (CID 91607100) is 6-bromo-8H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-8H-quinazolin-4-one?
The canonical SMILES for 6-bromo-8H-quinazolin-4-one is O=C1N=CN=C2CC=C(Br)C=C12.
What is the InChIKey of 6-bromo-8H-quinazolin-4-one?
The InChIKey is JDKQXUNWDAUGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2.
What are the key properties of 6-bromo-8H-quinazolin-4-one?
6-bromo-8H-quinazolin-4-one has a molecular weight of 225.04 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8H-quinazolin-4-one is sourced from PubChem (CID 91607100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).