8-[3-(2-bromophenoxy)propoxy]quinoline

C18H16BrNO2 — CID 2283404

IUPAC8-[3-(2-bromophenoxy)propoxy]quinoline
SMILESBrc1ccccc1OCCCOc1cccc2cccnc12
InChIInChI=1S/C18H16BrNO2/c19-15-8-1-2-9-16(15)21-12-5-13-22-17-10-3-6-14-7-4-11-20-18(14)17/h1-4,6-11H,5,12-13H2
InChIKeyYTYDVRITSVRLLK-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.85
Rot. Bonds6

About 8-[3-(2-bromophenoxy)propoxy]quinoline

8-[3-(2-bromophenoxy)propoxy]quinoline (PubChem CID 2283404) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 8-[3-(2-bromophenoxy)propoxy]quinoline.

Molecular Properties

Compound Name8-[3-(2-bromophenoxy)propoxy]quinoline
PubChem CID2283404
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name8-[3-(2-bromophenoxy)propoxy]quinoline
SMILESBrc1ccccc1OCCCOc1cccc2cccnc12
InChIInChI=1S/C18H16BrNO2/c19-15-8-1-2-9-16(15)21-12-5-13-22-17-10-3-6-14-7-4-11-20-18(14)17/h1-4,6-11H,5,12-13H2
InChIKeyYTYDVRITSVRLLK-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-bromophenoxy)propoxy]quinoline?
The IUPAC name of 8-[3-(2-bromophenoxy)propoxy]quinoline (CID 2283404) is 8-[3-(2-bromophenoxy)propoxy]quinoline.
What is the SMILES notation for 8-[3-(2-bromophenoxy)propoxy]quinoline?
The canonical SMILES for 8-[3-(2-bromophenoxy)propoxy]quinoline is Brc1ccccc1OCCCOc1cccc2cccnc12.
What is the InChIKey of 8-[3-(2-bromophenoxy)propoxy]quinoline?
The InChIKey is YTYDVRITSVRLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c19-15-8-1-2-9-16(15)21-12-5-13-22-17-10-3-6-14-7-4-11-20-18(14)17/h1-4,6-11H,5,12-13H2.
What are the key properties of 8-[3-(2-bromophenoxy)propoxy]quinoline?
8-[3-(2-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-(2-bromophenoxy)propoxy]quinoline is sourced from PubChem (CID 2283404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).