3-acetyl-6-bromo-1H-quinolin-4-one

C11H8BrNO2 — CID 14913141

IUPAC3-acetyl-6-bromo-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C11H8BrNO2/c1-6(14)9-5-13-10-3-2-7(12)4-8(10)11(9)15/h2-5H,1H3,(H,13,15)
InChIKeyKGVYTHOAATULPK-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.49
Rot. Bonds1

About 3-acetyl-6-bromo-1H-quinolin-4-one

3-acetyl-6-bromo-1H-quinolin-4-one (PubChem CID 14913141) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 3-acetyl-6-bromo-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-6-bromo-1H-quinolin-4-one
PubChem CID14913141
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name3-acetyl-6-bromo-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C11H8BrNO2/c1-6(14)9-5-13-10-3-2-7(12)4-8(10)11(9)15/h2-5H,1H3,(H,13,15)
InChIKeyKGVYTHOAATULPK-UHFFFAOYSA-N
XLogP2.49
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-bromo-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-6-bromo-1H-quinolin-4-one (CID 14913141) is 3-acetyl-6-bromo-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-6-bromo-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-6-bromo-1H-quinolin-4-one is CC(=O)c1c[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 3-acetyl-6-bromo-1H-quinolin-4-one?
The InChIKey is KGVYTHOAATULPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-6(14)9-5-13-10-3-2-7(12)4-8(10)11(9)15/h2-5H,1H3,(H,13,15).
What are the key properties of 3-acetyl-6-bromo-1H-quinolin-4-one?
3-acetyl-6-bromo-1H-quinolin-4-one has a molecular weight of 266.09 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-bromo-1H-quinolin-4-one is sourced from PubChem (CID 14913141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).