2,4-dichloro-6-methoxyquinoline

C10H7Cl2NO — CID 948356

IUPAC2,4-dichloro-6-methoxyquinoline
SMILESCOc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C10H7Cl2NO/c1-14-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3
InChIKeyFUAYQQYYACASFP-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.55
Rot. Bonds1

About 2,4-dichloro-6-methoxyquinoline

2,4-dichloro-6-methoxyquinoline (PubChem CID 948356) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxyquinoline.

Molecular Properties

Compound Name2,4-dichloro-6-methoxyquinoline
PubChem CID948356
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name2,4-dichloro-6-methoxyquinoline
SMILESCOc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C10H7Cl2NO/c1-14-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3
InChIKeyFUAYQQYYACASFP-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxyquinoline?
The IUPAC name of 2,4-dichloro-6-methoxyquinoline (CID 948356) is 2,4-dichloro-6-methoxyquinoline.
What is the SMILES notation for 2,4-dichloro-6-methoxyquinoline?
The canonical SMILES for 2,4-dichloro-6-methoxyquinoline is COc1ccc2nc(Cl)cc(Cl)c2c1.
What is the InChIKey of 2,4-dichloro-6-methoxyquinoline?
The InChIKey is FUAYQQYYACASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-14-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3.
What are the key properties of 2,4-dichloro-6-methoxyquinoline?
2,4-dichloro-6-methoxyquinoline has a molecular weight of 228.08 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxyquinoline is sourced from PubChem (CID 948356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).