2-chloro-3-(chloromethyl)-7-methoxyquinoline

C11H9Cl2NO — CID 2512529

IUPAC2-chloro-3-(chloromethyl)-7-methoxyquinoline
SMILESCOc1ccc2cc(CCl)c(Cl)nc2c1
InChIInChI=1S/C11H9Cl2NO/c1-15-9-3-2-7-4-8(6-12)11(13)14-10(7)5-9/h2-5H,6H2,1H3
InChIKeyICHNEESGHIDYMZ-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.64
Rot. Bonds2

About 2-chloro-3-(chloromethyl)-7-methoxyquinoline

2-chloro-3-(chloromethyl)-7-methoxyquinoline (PubChem CID 2512529) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)-7-methoxyquinoline.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)-7-methoxyquinoline
PubChem CID2512529
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name2-chloro-3-(chloromethyl)-7-methoxyquinoline
SMILESCOc1ccc2cc(CCl)c(Cl)nc2c1
InChIInChI=1S/C11H9Cl2NO/c1-15-9-3-2-7-4-8(6-12)11(13)14-10(7)5-9/h2-5H,6H2,1H3
InChIKeyICHNEESGHIDYMZ-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)-7-methoxyquinoline?
The IUPAC name of 2-chloro-3-(chloromethyl)-7-methoxyquinoline (CID 2512529) is 2-chloro-3-(chloromethyl)-7-methoxyquinoline.
What is the SMILES notation for 2-chloro-3-(chloromethyl)-7-methoxyquinoline?
The canonical SMILES for 2-chloro-3-(chloromethyl)-7-methoxyquinoline is COc1ccc2cc(CCl)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-3-(chloromethyl)-7-methoxyquinoline?
The InChIKey is ICHNEESGHIDYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-15-9-3-2-7-4-8(6-12)11(13)14-10(7)5-9/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-3-(chloromethyl)-7-methoxyquinoline?
2-chloro-3-(chloromethyl)-7-methoxyquinoline has a molecular weight of 242.10 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)-7-methoxyquinoline is sourced from PubChem (CID 2512529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).