2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid

C11H7BrN2O3 — CID 22742503

IUPAC2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C11H7BrN2O3/c12-7-3-4-8(14-10(15)11(16)17)9-6(7)2-1-5-13-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyWJYSWBBXNJNPRV-UHFFFAOYSA-N
MW295.09 g/mol
LogP2.02
Rot. Bonds1

About 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid

2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid (PubChem CID 22742503) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
PubChem CID22742503
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C11H7BrN2O3/c12-7-3-4-8(14-10(15)11(16)17)9-6(7)2-1-5-13-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyWJYSWBBXNJNPRV-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2-[2-[(5-bromoquinolin-8-yl)amino]-2-oxoethyl]benzoic acid
CID 56761360
1-(5-bromoquinolin-8-yl)-3-(3-fluorophenyl)urea
CID 35286932
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
(2R)-N-(5-bromoquinolin-8-yl)oxolane-2-carboxamide
CID 35287150
N-(5-bromoquinolin-8-yl)-2-(1H-indol-3-yl)acetamide
CID 35286701
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
phenacyl 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate
CID 126189419
N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414453
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid (CID 22742503) is 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid is O=C(O)C(=O)Nc1ccc(Br)c2cccnc12.
What is the InChIKey of 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid?
The InChIKey is WJYSWBBXNJNPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-7-3-4-8(14-10(15)11(16)17)9-6(7)2-1-5-13-9/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid?
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid has a molecular weight of 295.09 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid is sourced from PubChem (CID 22742503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).