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

C19H18BrNO3 — CID 2289004

IUPAC8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline
SMILESBrc1ccccc1OCCOCCOc1cccc2cccnc12
InChIInChI=1S/C19H18BrNO3/c20-16-7-1-2-8-17(16)23-13-11-22-12-14-24-18-9-3-5-15-6-4-10-21-19(15)18/h1-10H,11-14H2
InChIKeyLPGRWVPBASBVQR-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.47
Rot. Bonds8

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

8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline (PubChem CID 2289004) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline
PubChem CID2289004
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline
SMILESBrc1ccccc1OCCOCCOc1cccc2cccnc12
InChIInChI=1S/C19H18BrNO3/c20-16-7-1-2-8-17(16)23-13-11-22-12-14-24-18-9-3-5-15-6-4-10-21-19(15)18/h1-10H,11-14H2
InChIKeyLPGRWVPBASBVQR-UHFFFAOYSA-N
XLogP4.47
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.47
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-bromophenoxy)ethoxy]ethoxy]quinoline?
The IUPAC name of 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline (CID 2289004) is 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline.
What is the SMILES notation for 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline?
The canonical SMILES for 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline is Brc1ccccc1OCCOCCOc1cccc2cccnc12.
What is the InChIKey of 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline?
The InChIKey is LPGRWVPBASBVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c20-16-7-1-2-8-17(16)23-13-11-22-12-14-24-18-9-3-5-15-6-4-10-21-19(15)18/h1-10H,11-14H2.
What are the key properties of 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline?
8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]quinoline has a molecular weight of 388.26 g/mol, XLogP of 4.47, 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-bromophenoxy)ethoxy]ethoxy]quinoline is sourced from PubChem (CID 2289004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).