4-bromo-3H-quinolin-2-one

C9H6BrNO — CID 45489683

IUPAC4-bromo-3H-quinolin-2-one
SMILESO=C1CC(Br)=c2ccccc2=N1
InChIInChI=1S/C9H6BrNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-4H,5H2
InChIKeyIYQOOZBUILUAML-UHFFFAOYSA-N
MW224.06 g/mol
LogP0.74
Rot. Bonds

About 4-bromo-3H-quinolin-2-one

4-bromo-3H-quinolin-2-one (PubChem CID 45489683) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 4-bromo-3H-quinolin-2-one.

Molecular Properties

Compound Name4-bromo-3H-quinolin-2-one
PubChem CID45489683
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name4-bromo-3H-quinolin-2-one
SMILESO=C1CC(Br)=c2ccccc2=N1
InChIInChI=1S/C9H6BrNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-4H,5H2
InChIKeyIYQOOZBUILUAML-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydroquinolinone
CID 56625474
Carbonyl quinolinone
CID 71302596
3-fluoro-3H-quinolin-2-one
CID 119086068
8-bromo-3-fluoro-8H-quinolin-2-one
CID 85436256
8-Bromo-7-fluoroquinolin-2(3H)-one
CID 91844756
4-bromo-6-fluoro-6H-quinolin-2-one
CID 178188753
7-Bromoquinoline-2,3-dione
CID 22597669
6-chloro-3H-quinolin-2-one
CID 57098757
4-Bromoindol-2-one
CID 66583417
6-bromo-7,8-dihydro-3H-quinolin-2-one
CID 69104978
7,8-dihydro-3H-quinolin-2-one
CID 69650192
ethane;3-methyl-3H-quinolin-2-one
CID 91141532

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3H-quinolin-2-one?
The IUPAC name of 4-bromo-3H-quinolin-2-one (CID 45489683) is 4-bromo-3H-quinolin-2-one.
What is the SMILES notation for 4-bromo-3H-quinolin-2-one?
The canonical SMILES for 4-bromo-3H-quinolin-2-one is O=C1CC(Br)=c2ccccc2=N1.
What is the InChIKey of 4-bromo-3H-quinolin-2-one?
The InChIKey is IYQOOZBUILUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-4H,5H2.
What are the key properties of 4-bromo-3H-quinolin-2-one?
4-bromo-3H-quinolin-2-one has a molecular weight of 224.06 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3H-quinolin-2-one is sourced from PubChem (CID 45489683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).