6-bromo-8-methoxyquinoline

C10H8BrNO — CID 68605388

IUPAC6-bromo-8-methoxyquinoline
SMILESCOc1cc(Br)cc2cccnc12
InChIInChI=1S/C10H8BrNO/c1-13-9-6-8(11)5-7-3-2-4-12-10(7)9/h2-6H,1H3
InChIKeyJXXVYYHNERBSBL-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.01
Rot. Bonds1

About 6-bromo-8-methoxyquinoline

6-bromo-8-methoxyquinoline (PubChem CID 68605388) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 6-bromo-8-methoxyquinoline.

Molecular Properties

Compound Name6-bromo-8-methoxyquinoline
PubChem CID68605388
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name6-bromo-8-methoxyquinoline
SMILESCOc1cc(Br)cc2cccnc12
InChIInChI=1S/C10H8BrNO/c1-13-9-6-8(11)5-7-3-2-4-12-10(7)9/h2-6H,1H3
InChIKeyJXXVYYHNERBSBL-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-8-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 6-bromo-8-methoxyquinoline?
The IUPAC name of 6-bromo-8-methoxyquinoline (CID 68605388) is 6-bromo-8-methoxyquinoline.
What is the SMILES notation for 6-bromo-8-methoxyquinoline?
The canonical SMILES for 6-bromo-8-methoxyquinoline is COc1cc(Br)cc2cccnc12.
What is the InChIKey of 6-bromo-8-methoxyquinoline?
The InChIKey is JXXVYYHNERBSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-13-9-6-8(11)5-7-3-2-4-12-10(7)9/h2-6H,1H3.
What are the key properties of 6-bromo-8-methoxyquinoline?
6-bromo-8-methoxyquinoline has a molecular weight of 238.08 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxyquinoline is sourced from PubChem (CID 68605388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).