8-[2-(4-bromophenoxy)ethoxy]quinoline

C17H14BrNO2 — CID 2289161

IUPAC8-[2-(4-bromophenoxy)ethoxy]quinoline
SMILESBrc1ccc(OCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C17H14BrNO2/c18-14-6-8-15(9-7-14)20-11-12-21-16-5-1-3-13-4-2-10-19-17(13)16/h1-10H,11-12H2
InChIKeyKEPHFKKHUVFTPQ-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.46
Rot. Bonds5

About 8-[2-(4-bromophenoxy)ethoxy]quinoline

8-[2-(4-bromophenoxy)ethoxy]quinoline (PubChem CID 2289161) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 8-[2-(4-bromophenoxy)ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-(4-bromophenoxy)ethoxy]quinoline
PubChem CID2289161
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name8-[2-(4-bromophenoxy)ethoxy]quinoline
SMILESBrc1ccc(OCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C17H14BrNO2/c18-14-6-8-15(9-7-14)20-11-12-21-16-5-1-3-13-4-2-10-19-17(13)16/h1-10H,11-12H2
InChIKeyKEPHFKKHUVFTPQ-UHFFFAOYSA-N
XLogP4.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.46
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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Related Compounds

2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216
8-[(4-bromophenoxy)methyl]quinoline
CID 28775084
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
2-quinolin-8-yloxyethanamine
CID 17174906
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
8-(6-chlorohexoxy)quinoline
CID 62228191
2-quinolin-8-yloxyethylhydrazine
CID 82126133
8-(chloromethoxy)quinoline
CID 79531226
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-bromophenoxy)ethoxy]quinoline?
The IUPAC name of 8-[2-(4-bromophenoxy)ethoxy]quinoline (CID 2289161) is 8-[2-(4-bromophenoxy)ethoxy]quinoline.
What is the SMILES notation for 8-[2-(4-bromophenoxy)ethoxy]quinoline?
The canonical SMILES for 8-[2-(4-bromophenoxy)ethoxy]quinoline is Brc1ccc(OCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 8-[2-(4-bromophenoxy)ethoxy]quinoline?
The InChIKey is KEPHFKKHUVFTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-14-6-8-15(9-7-14)20-11-12-21-16-5-1-3-13-4-2-10-19-17(13)16/h1-10H,11-12H2.
What are the key properties of 8-[2-(4-bromophenoxy)ethoxy]quinoline?
8-[2-(4-bromophenoxy)ethoxy]quinoline has a molecular weight of 344.21 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-bromophenoxy)ethoxy]quinoline is sourced from PubChem (CID 2289161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).