8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one

C9H6BrFN2O — CID 146674855

IUPAC8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(F)=CC(Br)C2=N1
InChIInChI=1S/C9H6BrFN2O/c1-4-12-8-6(9(14)13-4)2-5(11)3-7(8)10/h2-3,7H,1H3
InChIKeyBXHANUKPBYRBGV-UHFFFAOYSA-N
MW257.06 g/mol
LogP1.94
Rot. Bonds

About 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one

8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one (PubChem CID 146674855) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
PubChem CID146674855
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(F)=CC(Br)C2=N1
InChIInChI=1S/C9H6BrFN2O/c1-4-12-8-6(9(14)13-4)2-5(11)3-7(8)10/h2-3,7H,1H3
InChIKeyBXHANUKPBYRBGV-UHFFFAOYSA-N
XLogP1.94
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
6-bromo-8H-quinazolin-4-one
CID 91607100
8,8-Dibromoquinazolin-4-one
CID 174762623
8-bromo-8H-quinazolin-4-one
CID 71304081
8-bromo-2-chloro-8H-quinazolin-4-one
CID 73886761
8-bromo-6-methyl-8H-quinazolin-4-one
CID 76039078
2-amino-8-bromo-8H-quinazolin-4-one
CID 76057176
6,8-dibromo-8H-quinazolin-4-one
CID 76844815
6-bromo-2-methyl-6H-quinazolin-4-one
CID 76844829

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one?
The IUPAC name of 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one (CID 146674855) is 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one.
What is the SMILES notation for 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one?
The canonical SMILES for 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one is CC1=NC(=O)C2=CC(F)=CC(Br)C2=N1.
What is the InChIKey of 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one?
The InChIKey is BXHANUKPBYRBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-4-12-8-6(9(14)13-4)2-5(11)3-7(8)10/h2-3,7H,1H3.
What are the key properties of 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one?
8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one has a molecular weight of 257.06 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one is sourced from PubChem (CID 146674855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).