6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride

C10H5BrClNO2 — CID 172682995

IUPAC6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C10H5BrClNO2/c11-5-1-2-8-6(3-5)9(14)7(4-13-8)10(12)15/h1-4H,(H,13,14)
InChIKeyAQTGXGBHGWJFJS-UHFFFAOYSA-N
MW286.51 g/mol
LogP2.67
Rot. Bonds1

About 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride

6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride (PubChem CID 172682995) has the molecular formula C10H5BrClNO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride.

Molecular Properties

Compound Name6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
PubChem CID172682995
Molecular FormulaC10H5BrClNO2
Molecular Weight286.51 g/mol
Exact Mass284.92
IUPAC Name6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C10H5BrClNO2/c11-5-1-2-8-6(3-5)9(14)7(4-13-8)10(12)15/h1-4H,(H,13,14)
InChIKeyAQTGXGBHGWJFJS-UHFFFAOYSA-N
XLogP2.67
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one
CID 159311769
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
(3E)-5-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028258
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
6-bromo-3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 86789113
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride?
The IUPAC name of 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride (CID 172682995) is 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride.
What is the SMILES notation for 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride?
The canonical SMILES for 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride is O=C(Cl)c1c[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride?
The InChIKey is AQTGXGBHGWJFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO2/c11-5-1-2-8-6(3-5)9(14)7(4-13-8)10(12)15/h1-4H,(H,13,14).
What are the key properties of 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride?
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride has a molecular weight of 286.51 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride is sourced from PubChem (CID 172682995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).