6-bromo-3H-quinolin-2-one

C9H6BrNO — CID 123719254

IUPAC6-bromo-3H-quinolin-2-one
SMILESO=C1CC=c2cc(Br)ccc2=N1
InChIInChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4H2
InChIKeyREGNPIKKJSEULB-UHFFFAOYSA-N
MW224.06 g/mol
LogP0.78
Rot. Bonds

About 6-bromo-3H-quinolin-2-one

6-bromo-3H-quinolin-2-one (PubChem CID 123719254) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 6-bromo-3H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3H-quinolin-2-one
PubChem CID123719254
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name6-bromo-3H-quinolin-2-one
SMILESO=C1CC=c2cc(Br)ccc2=N1
InChIInChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4H2
InChIKeyREGNPIKKJSEULB-UHFFFAOYSA-N
XLogP0.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromoindole-2-one
CID 22038270
5-Bromoindol-2-one
CID 46739842
2,3-Dihydroquinolinone
CID 56625474
Carbonyl quinolinone
CID 71302596
3-fluoro-3H-quinolin-2-one
CID 119086068
7-bromo-3H-quinoxalin-2-one
CID 71773260
6-bromo-8-fluoro-8H-quinolin-2-one
CID 76769440
8-Bromo-7-fluoroquinolin-2(3H)-one
CID 91844756
4-bromo-6-fluoro-6H-quinolin-2-one
CID 178188753
7-Bromo-1-benzazepin-2-one
CID 19989916
5-Bromo-3-methyl-indol-2-one
CID 22019376
3-Sulfanylidenequinolin-2-one
CID 22250100

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3H-quinolin-2-one?
The IUPAC name of 6-bromo-3H-quinolin-2-one (CID 123719254) is 6-bromo-3H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3H-quinolin-2-one?
The canonical SMILES for 6-bromo-3H-quinolin-2-one is O=C1CC=c2cc(Br)ccc2=N1.
What is the InChIKey of 6-bromo-3H-quinolin-2-one?
The InChIKey is REGNPIKKJSEULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4H2.
What are the key properties of 6-bromo-3H-quinolin-2-one?
6-bromo-3H-quinolin-2-one has a molecular weight of 224.06 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3H-quinolin-2-one is sourced from PubChem (CID 123719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).