1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone

C13H9BrN2O — CID 115052528

IUPAC1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone
SMILESCC(=O)c1cn2c(ccc3cccc(Br)c32)n1
InChIInChI=1S/C13H9BrN2O/c1-8(17)11-7-16-12(15-11)6-5-9-3-2-4-10(14)13(9)16/h2-7H,1H3
InChIKeyCXEGPSBZIXKSAR-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.45
Rot. Bonds1

About 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone

1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone (PubChem CID 115052528) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone
PubChem CID115052528
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone
SMILESCC(=O)c1cn2c(ccc3cccc(Br)c32)n1
InChIInChI=1S/C13H9BrN2O/c1-8(17)11-7-16-12(15-11)6-5-9-3-2-4-10(14)13(9)16/h2-7H,1H3
InChIKeyCXEGPSBZIXKSAR-UHFFFAOYSA-N
XLogP3.45
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-fluoroimidazo[1,2-a]quinolin-2-yl)ethanone
CID 115036547
1-(7-methylimidazo[1,2-a]quinolin-2-yl)ethanone
CID 115034456
9-fluoroimidazo[1,2-a]quinoline-2-carboxylic acid
CID 115037584
1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 21345663
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
1-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 114933667
8-bromoquinoline-2-carboxamide
CID 610197
1-(5,7-dimethoxyimidazo[1,2-a]pyridin-2-yl)ethanone
CID 153363299
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
N-(4-bromo-3-methylphenyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 26363542
2-acetyl-N-[(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 143894592
1-(8-hydroxyquinolin-2-yl)ethanone
CID 19067452

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone?
The IUPAC name of 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone (CID 115052528) is 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone.
What is the SMILES notation for 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone?
The canonical SMILES for 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone is CC(=O)c1cn2c(ccc3cccc(Br)c32)n1.
What is the InChIKey of 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone?
The InChIKey is CXEGPSBZIXKSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c1-8(17)11-7-16-12(15-11)6-5-9-3-2-4-10(14)13(9)16/h2-7H,1H3.
What are the key properties of 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone?
1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone has a molecular weight of 289.13 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromoimidazo[1,2-a]quinolin-2-yl)ethanone is sourced from PubChem (CID 115052528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).