8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline

C19H17BrClNO3 — CID 2284155

IUPAC8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline
SMILESClc1ccc(OCCOCCOc2cccc3cccnc23)c(Br)c1
InChIInChI=1S/C19H17BrClNO3/c20-16-13-15(21)6-7-17(16)24-11-9-23-10-12-25-18-5-1-3-14-4-2-8-22-19(14)18/h1-8,13H,9-12H2
InChIKeyPKEWSUMWMHHKLB-UHFFFAOYSA-N
MW422.71 g/mol
LogP5.13
Rot. Bonds8

About 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline

8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline (PubChem CID 2284155) has the molecular formula C19H17BrClNO3 and a molecular weight of 422.71 g/mol. Its IUPAC name is 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline
PubChem CID2284155
Molecular FormulaC19H17BrClNO3
Molecular Weight422.71 g/mol
Exact Mass421.01
IUPAC Name8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline
SMILESClc1ccc(OCCOCCOc2cccc3cccnc23)c(Br)c1
InChIInChI=1S/C19H17BrClNO3/c20-16-13-15(21)6-7-17(16)24-11-9-23-10-12-25-18-5-1-3-14-4-2-8-22-19(14)18/h1-8,13H,9-12H2
InChIKeyPKEWSUMWMHHKLB-UHFFFAOYSA-N
XLogP5.13
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.71
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline?
The IUPAC name of 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline (CID 2284155) is 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline.
What is the SMILES notation for 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline?
The canonical SMILES for 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline is Clc1ccc(OCCOCCOc2cccc3cccnc23)c(Br)c1.
What is the InChIKey of 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline?
The InChIKey is PKEWSUMWMHHKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClNO3/c20-16-13-15(21)6-7-17(16)24-11-9-23-10-12-25-18-5-1-3-14-4-2-8-22-19(14)18/h1-8,13H,9-12H2.
What are the key properties of 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline?
8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline has a molecular weight of 422.71 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethoxy]quinoline is sourced from PubChem (CID 2284155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).