8-bromo-4-oxoquinolizine-3-carboxylic acid

C10H6BrNO3 — CID 115049814

IUPAC8-bromo-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2cc(Br)ccn2c1=O
InChIInChI=1S/C10H6BrNO3/c11-6-3-4-12-7(5-6)1-2-8(9(12)13)10(14)15/h1-5H,(H,14,15)
InChIKeyXLMPZUKKFRNQHW-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.76
Rot. Bonds1

About 8-bromo-4-oxoquinolizine-3-carboxylic acid

8-bromo-4-oxoquinolizine-3-carboxylic acid (PubChem CID 115049814) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 8-bromo-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-4-oxoquinolizine-3-carboxylic acid
PubChem CID115049814
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name8-bromo-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2cc(Br)ccn2c1=O
InChIInChI=1S/C10H6BrNO3/c11-6-3-4-12-7(5-6)1-2-8(9(12)13)10(14)15/h1-5H,(H,14,15)
InChIKeyXLMPZUKKFRNQHW-UHFFFAOYSA-N
XLogP1.76
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-8-bromoquinolizin-4-one
CID 115042956
4-hydroxy-8-oxoquinolizine-3-carboxylic acid
CID 136982100
2,4-dibromobenzoic acid
CID 11896
1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124840
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde;7-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
CID 170319059
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 166609430
7-butoxy-4-oxoquinolizine-3-carboxylic acid
CID 15632096
6-chloro-4-oxoquinolizine-3-carboxylic acid
CID 115034211
5-bromo-2-(2-bromoacetyl)benzoic acid
CID 91882524

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 8-bromo-4-oxoquinolizine-3-carboxylic acid (CID 115049814) is 8-bromo-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-bromo-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 8-bromo-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1ccc2cc(Br)ccn2c1=O.
What is the InChIKey of 8-bromo-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is XLMPZUKKFRNQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-6-3-4-12-7(5-6)1-2-8(9(12)13)10(14)15/h1-5H,(H,14,15).
What are the key properties of 8-bromo-4-oxoquinolizine-3-carboxylic acid?
8-bromo-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 268.07 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 115049814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).