2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine

C13H13Br2ClN2O — CID 83223674

IUPAC2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine
SMILESCCNCCOc1c(Br)cc(Br)c2ccc(Cl)nc12
InChIInChI=1S/C13H13Br2ClN2O/c1-2-17-5-6-19-13-10(15)7-9(14)8-3-4-11(16)18-12(8)13/h3-4,7,17H,2,5-6H2,1H3
InChIKeyYTRKFWCWUCTFMT-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.40
Rot. Bonds5

About 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine

2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine (PubChem CID 83223674) has the molecular formula C13H13Br2ClN2O and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine.

Molecular Properties

Compound Name2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine
PubChem CID83223674
Molecular FormulaC13H13Br2ClN2O
Molecular Weight408.52 g/mol
Exact Mass405.91
IUPAC Name2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine
SMILESCCNCCOc1c(Br)cc(Br)c2ccc(Cl)nc12
InChIInChI=1S/C13H13Br2ClN2O/c1-2-17-5-6-19-13-10(15)7-9(14)8-3-4-11(16)18-12(8)13/h3-4,7,17H,2,5-6H2,1H3
InChIKeyYTRKFWCWUCTFMT-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine?
The IUPAC name of 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine (CID 83223674) is 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine.
What is the SMILES notation for 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine?
The canonical SMILES for 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine is CCNCCOc1c(Br)cc(Br)c2ccc(Cl)nc12.
What is the InChIKey of 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine?
The InChIKey is YTRKFWCWUCTFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2ClN2O/c1-2-17-5-6-19-13-10(15)7-9(14)8-3-4-11(16)18-12(8)13/h3-4,7,17H,2,5-6H2,1H3.
What are the key properties of 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine?
2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine has a molecular weight of 408.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromo-2-chloroquinolin-8-yl)oxy-N-ethylethanamine is sourced from PubChem (CID 83223674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).