6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride

C16H8BrCl2NO — CID 46779275

IUPAC6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccccc2Cl)nc2ccc(Br)cc12
InChIInChI=1S/C16H8BrCl2NO/c17-9-5-6-14-11(7-9)12(16(19)21)8-15(20-14)10-3-1-2-4-13(10)18/h1-8H
InChIKeyWGEQRLRNODGVIC-UHFFFAOYSA-N
MW381.06 g/mol
LogP5.70
Rot. Bonds2

About 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride

6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride (PubChem CID 46779275) has the molecular formula C16H8BrCl2NO and a molecular weight of 381.06 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
PubChem CID46779275
Molecular FormulaC16H8BrCl2NO
Molecular Weight381.06 g/mol
Exact Mass378.92
IUPAC Name6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccccc2Cl)nc2ccc(Br)cc12
InChIInChI=1S/C16H8BrCl2NO/c17-9-5-6-14-11(7-9)12(16(19)21)8-15(20-14)10-3-1-2-4-13(10)18/h1-8H
InChIKeyWGEQRLRNODGVIC-UHFFFAOYSA-N
XLogP5.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.06
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride (CID 46779275) is 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride is O=C(Cl)c1cc(-c2ccccc2Cl)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride?
The InChIKey is WGEQRLRNODGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrCl2NO/c17-9-5-6-14-11(7-9)12(16(19)21)8-15(20-14)10-3-1-2-4-13(10)18/h1-8H.
What are the key properties of 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride?
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride has a molecular weight of 381.06 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).