6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid

C11H8BrNO4 — CID 141420333

IUPAC6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(Br)c(O)cc21
InChIInChI=1S/C11H8BrNO4/c1-13-4-6(11(16)17)10(15)5-2-7(12)9(14)3-8(5)13/h2-4,14H,1H3,(H,16,17)
InChIKeyRBEIRWWOIYAFTI-UHFFFAOYSA-N
MW298.09 g/mol
LogP1.70
Rot. Bonds1

About 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid

6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 141420333) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID141420333
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(Br)c(O)cc21
InChIInChI=1S/C11H8BrNO4/c1-13-4-6(11(16)17)10(15)5-2-7(12)9(14)3-8(5)13/h2-4,14H,1H3,(H,16,17)
InChIKeyRBEIRWWOIYAFTI-UHFFFAOYSA-N
XLogP1.70
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 141420333) is 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cc(Br)c(O)cc21.
What is the InChIKey of 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RBEIRWWOIYAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c1-13-4-6(11(16)17)10(15)5-2-7(12)9(14)3-8(5)13/h2-4,14H,1H3,(H,16,17).
What are the key properties of 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 298.09 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 141420333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).