7-bromo-8-(2-methoxyethoxymethoxy)quinoline

C13H14BrNO3 — CID 10935865

IUPAC7-bromo-8-(2-methoxyethoxymethoxy)quinoline
SMILESCOCCOCOc1c(Br)ccc2cccnc12
InChIInChI=1S/C13H14BrNO3/c1-16-7-8-17-9-18-13-11(14)5-4-10-3-2-6-15-12(10)13/h2-6H,7-9H2,1H3
InChIKeyJBDPJXORUCFOEH-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.00
Rot. Bonds6

About 7-bromo-8-(2-methoxyethoxymethoxy)quinoline

7-bromo-8-(2-methoxyethoxymethoxy)quinoline (PubChem CID 10935865) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 7-bromo-8-(2-methoxyethoxymethoxy)quinoline.

Molecular Properties

Compound Name7-bromo-8-(2-methoxyethoxymethoxy)quinoline
PubChem CID10935865
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name7-bromo-8-(2-methoxyethoxymethoxy)quinoline
SMILESCOCCOCOc1c(Br)ccc2cccnc12
InChIInChI=1S/C13H14BrNO3/c1-16-7-8-17-9-18-13-11(14)5-4-10-3-2-6-15-12(10)13/h2-6H,7-9H2,1H3
InChIKeyJBDPJXORUCFOEH-UHFFFAOYSA-N
XLogP3.00
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-(2-methoxyethoxymethoxy)quinoline?
The IUPAC name of 7-bromo-8-(2-methoxyethoxymethoxy)quinoline (CID 10935865) is 7-bromo-8-(2-methoxyethoxymethoxy)quinoline.
What is the SMILES notation for 7-bromo-8-(2-methoxyethoxymethoxy)quinoline?
The canonical SMILES for 7-bromo-8-(2-methoxyethoxymethoxy)quinoline is COCCOCOc1c(Br)ccc2cccnc12.
What is the InChIKey of 7-bromo-8-(2-methoxyethoxymethoxy)quinoline?
The InChIKey is JBDPJXORUCFOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-16-7-8-17-9-18-13-11(14)5-4-10-3-2-6-15-12(10)13/h2-6H,7-9H2,1H3.
What are the key properties of 7-bromo-8-(2-methoxyethoxymethoxy)quinoline?
7-bromo-8-(2-methoxyethoxymethoxy)quinoline has a molecular weight of 312.16 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-(2-methoxyethoxymethoxy)quinoline is sourced from PubChem (CID 10935865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).