5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

C11H8BrNO3 — CID 43806712

IUPAC5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccc(Br)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H8BrNO3/c1-5-2-3-7(12)8-9(5)13-4-6(10(8)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyQYZXNAIGQPQZBR-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.30
Rot. Bonds1

About 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 43806712) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID43806712
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccc(Br)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H8BrNO3/c1-5-2-3-7(12)8-9(5)13-4-6(10(8)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyQYZXNAIGQPQZBR-UHFFFAOYSA-N
XLogP2.30
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 43806712) is 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is Cc1ccc(Br)c2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is QYZXNAIGQPQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-5-2-3-7(12)8-9(5)13-4-6(10(8)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 282.09 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 43806712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).