7-(dichloromethoxy)quinoline

C10H7Cl2NO — CID 174788382

IUPAC7-(dichloromethoxy)quinoline
SMILESClC(Cl)Oc1ccc2cccnc2c1
InChIInChI=1S/C10H7Cl2NO/c11-10(12)14-8-4-3-7-2-1-5-13-9(7)6-8/h1-6,10H
InChIKeyRDJYMUHTMBYTQB-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.37
Rot. Bonds2

About 7-(dichloromethoxy)quinoline

7-(dichloromethoxy)quinoline (PubChem CID 174788382) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 7-(dichloromethoxy)quinoline.

Molecular Properties

Compound Name7-(dichloromethoxy)quinoline
PubChem CID174788382
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name7-(dichloromethoxy)quinoline
SMILESClC(Cl)Oc1ccc2cccnc2c1
InChIInChI=1S/C10H7Cl2NO/c11-10(12)14-8-4-3-7-2-1-5-13-9(7)6-8/h1-6,10H
InChIKeyRDJYMUHTMBYTQB-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(dichloromethoxy)quinoline 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 7-(dichloromethoxy)quinoline?
The IUPAC name of 7-(dichloromethoxy)quinoline (CID 174788382) is 7-(dichloromethoxy)quinoline.
What is the SMILES notation for 7-(dichloromethoxy)quinoline?
The canonical SMILES for 7-(dichloromethoxy)quinoline is ClC(Cl)Oc1ccc2cccnc2c1.
What is the InChIKey of 7-(dichloromethoxy)quinoline?
The InChIKey is RDJYMUHTMBYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-10(12)14-8-4-3-7-2-1-5-13-9(7)6-8/h1-6,10H.
What are the key properties of 7-(dichloromethoxy)quinoline?
7-(dichloromethoxy)quinoline has a molecular weight of 228.08 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dichloromethoxy)quinoline is sourced from PubChem (CID 174788382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).