3-acetyl-8-bromo-1-methylquinolin-4-one

C12H10BrNO2 — CID 86732744

IUPAC3-acetyl-8-bromo-1-methylquinolin-4-one
SMILESCC(=O)c1cn(C)c2c(Br)cccc2c1=O
InChIInChI=1S/C12H10BrNO2/c1-7(15)9-6-14(2)11-8(12(9)16)4-3-5-10(11)13/h3-6H,1-2H3
InChIKeyNIOFJBRMCBAVLV-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.50
Rot. Bonds1

About 3-acetyl-8-bromo-1-methylquinolin-4-one

3-acetyl-8-bromo-1-methylquinolin-4-one (PubChem CID 86732744) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 3-acetyl-8-bromo-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-acetyl-8-bromo-1-methylquinolin-4-one
PubChem CID86732744
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name3-acetyl-8-bromo-1-methylquinolin-4-one
SMILESCC(=O)c1cn(C)c2c(Br)cccc2c1=O
InChIInChI=1S/C12H10BrNO2/c1-7(15)9-6-14(2)11-8(12(9)16)4-3-5-10(11)13/h3-6H,1-2H3
InChIKeyNIOFJBRMCBAVLV-UHFFFAOYSA-N
XLogP2.50
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831914
N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831943
1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone
CID 171157517
8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82251615
1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
CID 117197621
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831923
ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate
CID 115073311
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654
7-bromo-3-(isocyanomethyl)-1-methylindole
CID 83488342

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-8-bromo-1-methylquinolin-4-one?
The IUPAC name of 3-acetyl-8-bromo-1-methylquinolin-4-one (CID 86732744) is 3-acetyl-8-bromo-1-methylquinolin-4-one.
What is the SMILES notation for 3-acetyl-8-bromo-1-methylquinolin-4-one?
The canonical SMILES for 3-acetyl-8-bromo-1-methylquinolin-4-one is CC(=O)c1cn(C)c2c(Br)cccc2c1=O.
What is the InChIKey of 3-acetyl-8-bromo-1-methylquinolin-4-one?
The InChIKey is NIOFJBRMCBAVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-7(15)9-6-14(2)11-8(12(9)16)4-3-5-10(11)13/h3-6H,1-2H3.
What are the key properties of 3-acetyl-8-bromo-1-methylquinolin-4-one?
3-acetyl-8-bromo-1-methylquinolin-4-one has a molecular weight of 280.12 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-8-bromo-1-methylquinolin-4-one is sourced from PubChem (CID 86732744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).