4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride

C16H8Cl3NO — CID 3022177

IUPAC4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1c(-c2ccc(Cl)cc2)nc2ccccc2c1Cl
InChIInChI=1S/C16H8Cl3NO/c17-10-7-5-9(6-8-10)15-13(16(19)21)14(18)11-3-1-2-4-12(11)20-15/h1-8H
InChIKeyVJPULDBFTRDGHO-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.59
Rot. Bonds2

About 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride

4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride (PubChem CID 3022177) has the molecular formula C16H8Cl3NO and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride
PubChem CID3022177
Molecular FormulaC16H8Cl3NO
Molecular Weight336.61 g/mol
Exact Mass334.97
IUPAC Name4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1c(-c2ccc(Cl)cc2)nc2ccccc2c1Cl
InChIInChI=1S/C16H8Cl3NO/c17-10-7-5-9(6-8-10)15-13(16(19)21)14(18)11-3-1-2-4-12(11)20-15/h1-8H
InChIKeyVJPULDBFTRDGHO-UHFFFAOYSA-N
XLogP5.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.59
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 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride (CID 3022177) is 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride is O=C(Cl)c1c(-c2ccc(Cl)cc2)nc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride?
The InChIKey is VJPULDBFTRDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NO/c17-10-7-5-9(6-8-10)15-13(16(19)21)14(18)11-3-1-2-4-12(11)20-15/h1-8H.
What are the key properties of 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride?
4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride has a molecular weight of 336.61 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride is sourced from PubChem (CID 3022177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).