6-bromo-3-(2-methoxyethoxy)quinoline

C12H12BrNO2 — CID 66617283

IUPAC6-bromo-3-(2-methoxyethoxy)quinoline
SMILESCOCCOc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C12H12BrNO2/c1-15-4-5-16-11-7-9-6-10(13)2-3-12(9)14-8-11/h2-3,6-8H,4-5H2,1H3
InChIKeyCXFYBIOKLKPJEK-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.02
Rot. Bonds4

About 6-bromo-3-(2-methoxyethoxy)quinoline

6-bromo-3-(2-methoxyethoxy)quinoline (PubChem CID 66617283) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-3-(2-methoxyethoxy)quinoline.

Molecular Properties

Compound Name6-bromo-3-(2-methoxyethoxy)quinoline
PubChem CID66617283
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name6-bromo-3-(2-methoxyethoxy)quinoline
SMILESCOCCOc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C12H12BrNO2/c1-15-4-5-16-11-7-9-6-10(13)2-3-12(9)14-8-11/h2-3,6-8H,4-5H2,1H3
InChIKeyCXFYBIOKLKPJEK-UHFFFAOYSA-N
XLogP3.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methoxyethoxy)quinoline?
The IUPAC name of 6-bromo-3-(2-methoxyethoxy)quinoline (CID 66617283) is 6-bromo-3-(2-methoxyethoxy)quinoline.
What is the SMILES notation for 6-bromo-3-(2-methoxyethoxy)quinoline?
The canonical SMILES for 6-bromo-3-(2-methoxyethoxy)quinoline is COCCOc1cnc2ccc(Br)cc2c1.
What is the InChIKey of 6-bromo-3-(2-methoxyethoxy)quinoline?
The InChIKey is CXFYBIOKLKPJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-15-4-5-16-11-7-9-6-10(13)2-3-12(9)14-8-11/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-bromo-3-(2-methoxyethoxy)quinoline?
6-bromo-3-(2-methoxyethoxy)quinoline has a molecular weight of 282.14 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methoxyethoxy)quinoline is sourced from PubChem (CID 66617283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).