3,7-dichloroquinoline-8-carbonyl chloride

C10H4Cl3NO — CID 13090840

IUPAC3,7-dichloroquinoline-8-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C10H4Cl3NO/c11-6-3-5-1-2-7(12)8(10(13)15)9(5)14-4-6/h1-4H
InChIKeyUTLUHRLLWAIKEY-UHFFFAOYSA-N
MW260.51 g/mol
LogP3.92
Rot. Bonds1

About 3,7-dichloroquinoline-8-carbonyl chloride

3,7-dichloroquinoline-8-carbonyl chloride (PubChem CID 13090840) has the molecular formula C10H4Cl3NO and a molecular weight of 260.51 g/mol. Its IUPAC name is 3,7-dichloroquinoline-8-carbonyl chloride.

Molecular Properties

Compound Name3,7-dichloroquinoline-8-carbonyl chloride
PubChem CID13090840
Molecular FormulaC10H4Cl3NO
Molecular Weight260.51 g/mol
Exact Mass258.94
IUPAC Name3,7-dichloroquinoline-8-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C10H4Cl3NO/c11-6-3-5-1-2-7(12)8(10(13)15)9(5)14-4-6/h1-4H
InChIKeyUTLUHRLLWAIKEY-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,7-dichloroquinoline-8-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

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloroquinoline-8-carbonyl chloride?
The IUPAC name of 3,7-dichloroquinoline-8-carbonyl chloride (CID 13090840) is 3,7-dichloroquinoline-8-carbonyl chloride.
What is the SMILES notation for 3,7-dichloroquinoline-8-carbonyl chloride?
The canonical SMILES for 3,7-dichloroquinoline-8-carbonyl chloride is O=C(Cl)c1c(Cl)ccc2cc(Cl)cnc12.
What is the InChIKey of 3,7-dichloroquinoline-8-carbonyl chloride?
The InChIKey is UTLUHRLLWAIKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3NO/c11-6-3-5-1-2-7(12)8(10(13)15)9(5)14-4-6/h1-4H.
What are the key properties of 3,7-dichloroquinoline-8-carbonyl chloride?
3,7-dichloroquinoline-8-carbonyl chloride has a molecular weight of 260.51 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloroquinoline-8-carbonyl chloride is sourced from PubChem (CID 13090840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).