2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride

C16H8Cl3NO — CID 46779248

IUPAC2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H8Cl3NO/c17-12-6-5-9(7-13(12)18)15-8-11(16(19)21)10-3-1-2-4-14(10)20-15/h1-8H
InChIKeyAAOPZLLXXZINKG-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.59
Rot. Bonds2

About 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride

2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride (PubChem CID 46779248) has the molecular formula C16H8Cl3NO and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
PubChem CID46779248
Molecular FormulaC16H8Cl3NO
Molecular Weight336.61 g/mol
Exact Mass334.97
IUPAC Name2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H8Cl3NO/c17-12-6-5-9(7-13(12)18)15-8-11(16(19)21)10-3-1-2-4-14(10)20-15/h1-8H
InChIKeyAAOPZLLXXZINKG-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'}

Analyze 2-(3,4-dichlorophenyl)quinoline-4-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

N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
benzhydryl 2-(3,4-dichlorophenyl)quinoline-4-carboxylate
CID 126189481
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
CID 5209906
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid
CID 1177430
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3649172
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
2-[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]-5-methyl-1H-pyrazol-3-one
CID 23945639
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride (CID 46779248) is 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride is O=C(Cl)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride?
The InChIKey is AAOPZLLXXZINKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NO/c17-12-6-5-9(7-13(12)18)15-8-11(16(19)21)10-3-1-2-4-14(10)20-15/h1-8H.
What are the key properties of 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride?
2-(3,4-dichlorophenyl)quinoline-4-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 2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).