5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one

C12H12BrNO — CID 43806738

IUPAC5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2c(Br)ccc(C)c2[nH]1
InChIInChI=1S/C12H12BrNO/c1-3-8-6-10(15)11-9(13)5-4-7(2)12(11)14-8/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyAYNRUPLLNADQAG-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.16
Rot. Bonds1

About 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one

5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one (PubChem CID 43806738) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one
PubChem CID43806738
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2c(Br)ccc(C)c2[nH]1
InChIInChI=1S/C12H12BrNO/c1-3-8-6-10(15)11-9(13)5-4-7(2)12(11)14-8/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyAYNRUPLLNADQAG-UHFFFAOYSA-N
XLogP3.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-ethyl-5,7-dimethyl-1H-quinolin-4-one
CID 107577431
5-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 63109373
2-(5-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetonitrile
CID 82243037
2-ethyl-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 14916565
6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668304
8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 107628076
6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one
CID 43668195
7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668132
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
2-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 124907248
2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72893517
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72857594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one?
The IUPAC name of 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one (CID 43806738) is 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one is CCc1cc(=O)c2c(Br)ccc(C)c2[nH]1.
What is the InChIKey of 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one?
The InChIKey is AYNRUPLLNADQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-3-8-6-10(15)11-9(13)5-4-7(2)12(11)14-8/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one?
5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one has a molecular weight of 266.14 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 43806738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).