6-bromo-3-ethylquinazolin-4-one

C10H9BrN2O — CID 40557773

IUPAC6-bromo-3-ethylquinazolin-4-one
SMILESCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H9BrN2O/c1-2-13-6-12-9-4-3-7(11)5-8(9)10(13)14/h3-6H,2H2,1H3
InChIKeyIFQBQDLXUCFKIM-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.18
Rot. Bonds1

About 6-bromo-3-ethylquinazolin-4-one

6-bromo-3-ethylquinazolin-4-one (PubChem CID 40557773) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 6-bromo-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-ethylquinazolin-4-one
PubChem CID40557773
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name6-bromo-3-ethylquinazolin-4-one
SMILESCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H9BrN2O/c1-2-13-6-12-9-4-3-7(11)5-8(9)10(13)14/h3-6H,2H2,1H3
InChIKeyIFQBQDLXUCFKIM-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethylquinazolin-4-one?
The IUPAC name of 6-bromo-3-ethylquinazolin-4-one (CID 40557773) is 6-bromo-3-ethylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-ethylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-ethylquinazolin-4-one is CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-ethylquinazolin-4-one?
The InChIKey is IFQBQDLXUCFKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-2-13-6-12-9-4-3-7(11)5-8(9)10(13)14/h3-6H,2H2,1H3.
What are the key properties of 6-bromo-3-ethylquinazolin-4-one?
6-bromo-3-ethylquinazolin-4-one has a molecular weight of 253.10 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethylquinazolin-4-one is sourced from PubChem (CID 40557773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).