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

C20H20BrNO3 — CID 2182284

IUPAC8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCCOCCOc3ccccc3Br)c2n1
InChIInChI=1S/C20H20BrNO3/c1-15-9-10-16-5-4-8-19(20(16)22-15)25-14-12-23-11-13-24-18-7-3-2-6-17(18)21/h2-10H,11-14H2,1H3
InChIKeySDWCFDRCTWGFBG-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.78
Rot. Bonds8

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

8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline (PubChem CID 2182284) has the molecular formula C20H20BrNO3 and a molecular weight of 402.29 g/mol. Its IUPAC name is 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline
PubChem CID2182284
Molecular FormulaC20H20BrNO3
Molecular Weight402.29 g/mol
Exact Mass401.06
IUPAC Name8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCCOCCOc3ccccc3Br)c2n1
InChIInChI=1S/C20H20BrNO3/c1-15-9-10-16-5-4-8-19(20(16)22-15)25-14-12-23-11-13-24-18-7-3-2-6-17(18)21/h2-10H,11-14H2,1H3
InChIKeySDWCFDRCTWGFBG-UHFFFAOYSA-N
XLogP4.78
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline 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-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline?
The IUPAC name of 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline (CID 2182284) is 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline.
What is the SMILES notation for 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline?
The canonical SMILES for 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline is Cc1ccc2cccc(OCCOCCOc3ccccc3Br)c2n1.
What is the InChIKey of 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline?
The InChIKey is SDWCFDRCTWGFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO3/c1-15-9-10-16-5-4-8-19(20(16)22-15)25-14-12-23-11-13-24-18-7-3-2-6-17(18)21/h2-10H,11-14H2,1H3.
What are the key properties of 8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline?
8-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methylquinoline has a molecular weight of 402.29 g/mol, XLogP of 4.78, 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]-2-methylquinoline is sourced from PubChem (CID 2182284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).