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

C13H12BrNO3 — CID 82184295

IUPAC6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
SMILESCCc1cc(Br)cc2c(C(=O)O)cc(=O)n(C)c12
InChIInChI=1S/C13H12BrNO3/c1-3-7-4-8(14)5-9-10(13(17)18)6-11(16)15(2)12(7)9/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyRIVDWSUJLHIEJS-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.56
Rot. Bonds2

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

6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid (PubChem CID 82184295) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
PubChem CID82184295
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
SMILESCCc1cc(Br)cc2c(C(=O)O)cc(=O)n(C)c12
InChIInChI=1S/C13H12BrNO3/c1-3-7-4-8(14)5-9-10(13(17)18)6-11(16)15(2)12(7)9/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyRIVDWSUJLHIEJS-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

8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184298
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
CID 82184140
5-bromo-2-chloro-3-ethylbenzoic acid
CID 20977666
1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 82184260
7-bromo-1-ethylnaphthalene-2-carboxylic acid
CID 115057709
6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
CID 102942112
5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
CID 131629778
4-bromo-5-ethylphthalic acid
CID 91027917
6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid
CID 83902984
6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384
6,8-dibromo-2-butan-2-ylquinoline-4-carboxylic acid
CID 63462168
5-bromo-2-[(4-ethylphenyl)methoxy]-3-methylbenzoic acid
CID 115962043

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid (CID 82184295) is 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid is CCc1cc(Br)cc2c(C(=O)O)cc(=O)n(C)c12.
What is the InChIKey of 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
The InChIKey is RIVDWSUJLHIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-3-7-4-8(14)5-9-10(13(17)18)6-11(16)15(2)12(7)9/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid?
6-bromo-8-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 6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 82184295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).