8-[3-(4-bromophenoxy)propoxy]quinoline

C18H16BrNO2 — CID 2284304

IUPAC8-[3-(4-bromophenoxy)propoxy]quinoline
SMILESBrc1ccc(OCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C18H16BrNO2/c19-15-7-9-16(10-8-15)21-12-3-13-22-17-6-1-4-14-5-2-11-20-18(14)17/h1-2,4-11H,3,12-13H2
InChIKeyZXGHSDYGQIHVLX-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.85
Rot. Bonds6

About 8-[3-(4-bromophenoxy)propoxy]quinoline

8-[3-(4-bromophenoxy)propoxy]quinoline (PubChem CID 2284304) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 8-[3-(4-bromophenoxy)propoxy]quinoline.

Molecular Properties

Compound Name8-[3-(4-bromophenoxy)propoxy]quinoline
PubChem CID2284304
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name8-[3-(4-bromophenoxy)propoxy]quinoline
SMILESBrc1ccc(OCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C18H16BrNO2/c19-15-7-9-16(10-8-15)21-12-3-13-22-17-6-1-4-14-5-2-11-20-18(14)17/h1-2,4-11H,3,12-13H2
InChIKeyZXGHSDYGQIHVLX-UHFFFAOYSA-N
XLogP4.85
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[3-(4-bromophenoxy)propoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-bromophenoxy)propoxy]quinoline?
The IUPAC name of 8-[3-(4-bromophenoxy)propoxy]quinoline (CID 2284304) is 8-[3-(4-bromophenoxy)propoxy]quinoline.
What is the SMILES notation for 8-[3-(4-bromophenoxy)propoxy]quinoline?
The canonical SMILES for 8-[3-(4-bromophenoxy)propoxy]quinoline is Brc1ccc(OCCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 8-[3-(4-bromophenoxy)propoxy]quinoline?
The InChIKey is ZXGHSDYGQIHVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c19-15-7-9-16(10-8-15)21-12-3-13-22-17-6-1-4-14-5-2-11-20-18(14)17/h1-2,4-11H,3,12-13H2.
What are the key properties of 8-[3-(4-bromophenoxy)propoxy]quinoline?
8-[3-(4-bromophenoxy)propoxy]quinoline has a molecular weight of 358.24 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-bromophenoxy)propoxy]quinoline is sourced from PubChem (CID 2284304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).