8-(chloromethyl)-5-methoxyquinoline

C11H10ClNO — CID 66754973

IUPAC8-(chloromethyl)-5-methoxyquinoline
SMILESCOc1ccc(CCl)c2ncccc12
InChIInChI=1S/C11H10ClNO/c1-14-10-5-4-8(7-12)11-9(10)3-2-6-13-11/h2-6H,7H2,1H3
InChIKeyUTWMOSRQHKHFNG-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.98
Rot. Bonds2

About 8-(chloromethyl)-5-methoxyquinoline

8-(chloromethyl)-5-methoxyquinoline (PubChem CID 66754973) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 8-(chloromethyl)-5-methoxyquinoline.

Molecular Properties

Compound Name8-(chloromethyl)-5-methoxyquinoline
PubChem CID66754973
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name8-(chloromethyl)-5-methoxyquinoline
SMILESCOc1ccc(CCl)c2ncccc12
InChIInChI=1S/C11H10ClNO/c1-14-10-5-4-8(7-12)11-9(10)3-2-6-13-11/h2-6H,7H2,1H3
InChIKeyUTWMOSRQHKHFNG-UHFFFAOYSA-N
XLogP2.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(chloromethyl)-5-methoxyquinoline 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 8-(chloromethyl)-5-methoxyquinoline?
The IUPAC name of 8-(chloromethyl)-5-methoxyquinoline (CID 66754973) is 8-(chloromethyl)-5-methoxyquinoline.
What is the SMILES notation for 8-(chloromethyl)-5-methoxyquinoline?
The canonical SMILES for 8-(chloromethyl)-5-methoxyquinoline is COc1ccc(CCl)c2ncccc12.
What is the InChIKey of 8-(chloromethyl)-5-methoxyquinoline?
The InChIKey is UTWMOSRQHKHFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-14-10-5-4-8(7-12)11-9(10)3-2-6-13-11/h2-6H,7H2,1H3.
What are the key properties of 8-(chloromethyl)-5-methoxyquinoline?
8-(chloromethyl)-5-methoxyquinoline has a molecular weight of 207.66 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(chloromethyl)-5-methoxyquinoline is sourced from PubChem (CID 66754973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).