8-bromo-1-ethyl-7-fluoroquinolin-2-one

C11H9BrFNO — CID 142490481

IUPAC8-bromo-1-ethyl-7-fluoroquinolin-2-one
SMILESCCn1c(=O)ccc2ccc(F)c(Br)c21
InChIInChI=1S/C11H9BrFNO/c1-2-14-9(15)6-4-7-3-5-8(13)10(12)11(7)14/h3-6H,2H2,1H3
InChIKeyFGSZBUBNDFQPGK-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.92
Rot. Bonds1

About 8-bromo-1-ethyl-7-fluoroquinolin-2-one

8-bromo-1-ethyl-7-fluoroquinolin-2-one (PubChem CID 142490481) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 8-bromo-1-ethyl-7-fluoroquinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-ethyl-7-fluoroquinolin-2-one
PubChem CID142490481
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name8-bromo-1-ethyl-7-fluoroquinolin-2-one
SMILESCCn1c(=O)ccc2ccc(F)c(Br)c21
InChIInChI=1S/C11H9BrFNO/c1-2-14-9(15)6-4-7-3-5-8(13)10(12)11(7)14/h3-6H,2H2,1H3
InChIKeyFGSZBUBNDFQPGK-UHFFFAOYSA-N
XLogP2.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-ethyl-7-fluoroquinolin-2-one?
The IUPAC name of 8-bromo-1-ethyl-7-fluoroquinolin-2-one (CID 142490481) is 8-bromo-1-ethyl-7-fluoroquinolin-2-one.
What is the SMILES notation for 8-bromo-1-ethyl-7-fluoroquinolin-2-one?
The canonical SMILES for 8-bromo-1-ethyl-7-fluoroquinolin-2-one is CCn1c(=O)ccc2ccc(F)c(Br)c21.
What is the InChIKey of 8-bromo-1-ethyl-7-fluoroquinolin-2-one?
The InChIKey is FGSZBUBNDFQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-2-14-9(15)6-4-7-3-5-8(13)10(12)11(7)14/h3-6H,2H2,1H3.
What are the key properties of 8-bromo-1-ethyl-7-fluoroquinolin-2-one?
8-bromo-1-ethyl-7-fluoroquinolin-2-one has a molecular weight of 270.10 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-ethyl-7-fluoroquinolin-2-one is sourced from PubChem (CID 142490481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).