5-bromo-7-chloro-1,3-dimethylquinolin-2-one

C11H9BrClNO — CID 177344051

IUPAC5-bromo-7-chloro-1,3-dimethylquinolin-2-one
SMILESCc1cc2c(Br)cc(Cl)cc2n(C)c1=O
InChIInChI=1S/C11H9BrClNO/c1-6-3-8-9(12)4-7(13)5-10(8)14(2)11(6)15/h3-5H,1-2H3
InChIKeyCSSORCXQGBQVLO-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.26
Rot. Bonds

About 5-bromo-7-chloro-1,3-dimethylquinolin-2-one

5-bromo-7-chloro-1,3-dimethylquinolin-2-one (PubChem CID 177344051) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 5-bromo-7-chloro-1,3-dimethylquinolin-2-one.

Molecular Properties

Compound Name5-bromo-7-chloro-1,3-dimethylquinolin-2-one
PubChem CID177344051
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name5-bromo-7-chloro-1,3-dimethylquinolin-2-one
SMILESCc1cc2c(Br)cc(Cl)cc2n(C)c1=O
InChIInChI=1S/C11H9BrClNO/c1-6-3-8-9(12)4-7(13)5-10(8)14(2)11(6)15/h3-5H,1-2H3
InChIKeyCSSORCXQGBQVLO-UHFFFAOYSA-N
XLogP3.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1,3-dimethylquinolin-2-one?
The IUPAC name of 5-bromo-7-chloro-1,3-dimethylquinolin-2-one (CID 177344051) is 5-bromo-7-chloro-1,3-dimethylquinolin-2-one.
What is the SMILES notation for 5-bromo-7-chloro-1,3-dimethylquinolin-2-one?
The canonical SMILES for 5-bromo-7-chloro-1,3-dimethylquinolin-2-one is Cc1cc2c(Br)cc(Cl)cc2n(C)c1=O.
What is the InChIKey of 5-bromo-7-chloro-1,3-dimethylquinolin-2-one?
The InChIKey is CSSORCXQGBQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-6-3-8-9(12)4-7(13)5-10(8)14(2)11(6)15/h3-5H,1-2H3.
What are the key properties of 5-bromo-7-chloro-1,3-dimethylquinolin-2-one?
5-bromo-7-chloro-1,3-dimethylquinolin-2-one has a molecular weight of 286.56 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1,3-dimethylquinolin-2-one is sourced from PubChem (CID 177344051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).