8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one

C11H10BrFN2O — CID 90003891

IUPAC8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one
SMILESCc1nc2c(Br)cccc2c(=O)n1CCF
InChIInChI=1S/C11H10BrFN2O/c1-7-14-10-8(3-2-4-9(10)12)11(16)15(7)6-5-13/h2-4H,5-6H2,1H3
InChIKeyFUKUQZSMJWFAAQ-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.44
Rot. Bonds2

About 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one

8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one (PubChem CID 90003891) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one
PubChem CID90003891
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one
SMILESCc1nc2c(Br)cccc2c(=O)n1CCF
InChIInChI=1S/C11H10BrFN2O/c1-7-14-10-8(3-2-4-9(10)12)11(16)15(7)6-5-13/h2-4H,5-6H2,1H3
InChIKeyFUKUQZSMJWFAAQ-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one?
The IUPAC name of 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one (CID 90003891) is 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one?
The canonical SMILES for 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one is Cc1nc2c(Br)cccc2c(=O)n1CCF.
What is the InChIKey of 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one?
The InChIKey is FUKUQZSMJWFAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-7-14-10-8(3-2-4-9(10)12)11(16)15(7)6-5-13/h2-4H,5-6H2,1H3.
What are the key properties of 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one?
8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one has a molecular weight of 285.12 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 90003891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).