7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one

C15H9BrFNO — CID 169130419

IUPAC7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c(F)c(Br)ccc12
InChIInChI=1S/C15H9BrFNO/c16-11-7-6-10-13(19)8-12(18-15(10)14(11)17)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyKEFGJFFUYRRTGT-UHFFFAOYSA-N
MW318.14 g/mol
LogP4.10
Rot. Bonds1

About 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one

7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one (PubChem CID 169130419) has the molecular formula C15H9BrFNO and a molecular weight of 318.14 g/mol. Its IUPAC name is 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
PubChem CID169130419
Molecular FormulaC15H9BrFNO
Molecular Weight318.14 g/mol
Exact Mass316.99
IUPAC Name7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c(F)c(Br)ccc12
InChIInChI=1S/C15H9BrFNO/c16-11-7-6-10-13(19)8-12(18-15(10)14(11)17)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyKEFGJFFUYRRTGT-UHFFFAOYSA-N
XLogP4.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one (CID 169130419) is 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one is O=c1cc(-c2ccccc2)[nH]c2c(F)c(Br)ccc12.
What is the InChIKey of 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one?
The InChIKey is KEFGJFFUYRRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO/c16-11-7-6-10-13(19)8-12(18-15(10)14(11)17)9-4-2-1-3-5-9/h1-8H,(H,18,19).
What are the key properties of 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one?
7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one has a molecular weight of 318.14 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 169130419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).