5-bromo-8-fluoro-8H-quinazolin-4-one

C8H4BrFN2O — CID 138059215

IUPAC5-bromo-8-fluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=C(Br)C=CC2F
InChIInChI=1S/C8H4BrFN2O/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3,5H
InChIKeyDUIICBMRJWHXJU-UHFFFAOYSA-N
MW243.03 g/mol
LogP1.55
Rot. Bonds

About 5-bromo-8-fluoro-8H-quinazolin-4-one

5-bromo-8-fluoro-8H-quinazolin-4-one (PubChem CID 138059215) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 5-bromo-8-fluoro-8H-quinazolin-4-one.

Molecular Properties

Compound Name5-bromo-8-fluoro-8H-quinazolin-4-one
PubChem CID138059215
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name5-bromo-8-fluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=C(Br)C=CC2F
InChIInChI=1S/C8H4BrFN2O/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3,5H
InChIKeyDUIICBMRJWHXJU-UHFFFAOYSA-N
XLogP1.55
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
6-fluoro-6H-quinazolin-4-one
CID 71303964
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
8-fluoro-8H-quinazolin-4-one
CID 76845720
8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
CID 146674855
7-bromo-6-chloro-5,8-difluoro-8H-quinazolin-4-one
CID 178188871
6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
7-bromo-6H-quinazolin-4-one
CID 91025472
6-bromo-8H-quinazolin-4-one
CID 91607100
8,8-Dibromoquinazolin-4-one
CID 174762623

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-fluoro-8H-quinazolin-4-one?
The IUPAC name of 5-bromo-8-fluoro-8H-quinazolin-4-one (CID 138059215) is 5-bromo-8-fluoro-8H-quinazolin-4-one.
What is the SMILES notation for 5-bromo-8-fluoro-8H-quinazolin-4-one?
The canonical SMILES for 5-bromo-8-fluoro-8H-quinazolin-4-one is O=C1N=CN=C2C1=C(Br)C=CC2F.
What is the InChIKey of 5-bromo-8-fluoro-8H-quinazolin-4-one?
The InChIKey is DUIICBMRJWHXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3,5H.
What are the key properties of 5-bromo-8-fluoro-8H-quinazolin-4-one?
5-bromo-8-fluoro-8H-quinazolin-4-one has a molecular weight of 243.03 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-fluoro-8H-quinazolin-4-one is sourced from PubChem (CID 138059215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).