8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid

C13H12BrNO3 — CID 82184298

IUPAC8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
SMILESCCc1cc(Br)c2c(c1)c(C(=O)O)cc(=O)n2C
InChIInChI=1S/C13H12BrNO3/c1-3-7-4-8-9(13(17)18)6-11(16)15(2)12(8)10(14)5-7/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyAMJFNQFJGSCHFT-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.56
Rot. Bonds2

About 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid

8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid (PubChem CID 82184298) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
PubChem CID82184298
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
SMILESCCc1cc(Br)c2c(c1)c(C(=O)O)cc(=O)n2C
InChIInChI=1S/C13H12BrNO3/c1-3-7-4-8-9(13(17)18)6-11(16)15(2)12(8)10(14)5-7/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyAMJFNQFJGSCHFT-UHFFFAOYSA-N
XLogP2.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184295
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
2-acetyloxy-3-bromo-5-ethylbenzoic acid
CID 50883031
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 82184260
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
5-ethyl-1-propylindole-7-carboxylic acid
CID 83946152
4-bromo-5-ethylphthalic acid
CID 91027917
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 66487817

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid (CID 82184298) is 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid is CCc1cc(Br)c2c(c1)c(C(=O)O)cc(=O)n2C.
What is the InChIKey of 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
The InChIKey is AMJFNQFJGSCHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-3-7-4-8-9(13(17)18)6-11(16)15(2)12(8)10(14)5-7/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid has a molecular weight of 310.15 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 82184298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).