3-(chloromethyl)-2-methoxyquinoline

C11H10ClNO — CID 28964594

IUPAC3-(chloromethyl)-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1CCl
InChIInChI=1S/C11H10ClNO/c1-14-11-9(7-12)6-8-4-2-3-5-10(8)13-11/h2-6H,7H2,1H3
InChIKeyNAVYHPAMBVAVQA-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.98
Rot. Bonds2

About 3-(chloromethyl)-2-methoxyquinoline

3-(chloromethyl)-2-methoxyquinoline (PubChem CID 28964594) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methoxyquinoline.

Molecular Properties

Compound Name3-(chloromethyl)-2-methoxyquinoline
PubChem CID28964594
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name3-(chloromethyl)-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1CCl
InChIInChI=1S/C11H10ClNO/c1-14-11-9(7-12)6-8-4-2-3-5-10(8)13-11/h2-6H,7H2,1H3
InChIKeyNAVYHPAMBVAVQA-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 3-(chloromethyl)-2-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 3-(chloromethyl)-2-methoxyquinoline?
The IUPAC name of 3-(chloromethyl)-2-methoxyquinoline (CID 28964594) is 3-(chloromethyl)-2-methoxyquinoline.
What is the SMILES notation for 3-(chloromethyl)-2-methoxyquinoline?
The canonical SMILES for 3-(chloromethyl)-2-methoxyquinoline is COc1nc2ccccc2cc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methoxyquinoline?
The InChIKey is NAVYHPAMBVAVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-14-11-9(7-12)6-8-4-2-3-5-10(8)13-11/h2-6H,7H2,1H3.
What are the key properties of 3-(chloromethyl)-2-methoxyquinoline?
3-(chloromethyl)-2-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 3-(chloromethyl)-2-methoxyquinoline is sourced from PubChem (CID 28964594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).