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

C9H6BrFN2O — CID 136675677

IUPAC6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cc(F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C9H6BrFN2O/c1-4-12-8-3-7(11)6(10)2-5(8)9(14)13-4/h2-3H,1H3,(H,12,13,14)
InChIKeyOJAGKZMDYTUCHN-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.13
Rot. Bonds

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

6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one (PubChem CID 136675677) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
PubChem CID136675677
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cc(F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C9H6BrFN2O/c1-4-12-8-3-7(11)6(10)2-5(8)9(14)13-4/h2-3H,1H3,(H,12,13,14)
InChIKeyOJAGKZMDYTUCHN-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one (CID 136675677) is 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one is Cc1nc2cc(F)c(Br)cc2c(=O)[nH]1.
What is the InChIKey of 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one?
The InChIKey is OJAGKZMDYTUCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-4-12-8-3-7(11)6(10)2-5(8)9(14)13-4/h2-3H,1H3,(H,12,13,14).
What are the key properties of 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one?
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one has a molecular weight of 257.06 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136675677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).