8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline

C22H23NO3 — CID 2183338

IUPAC8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline
SMILESC=CCc1ccc(OCCOc2cccc3ccc(C)nc23)c(OC)c1
InChIInChI=1S/C22H23NO3/c1-4-6-17-10-12-19(21(15-17)24-3)25-13-14-26-20-8-5-7-18-11-9-16(2)23-22(18)20/h4-5,7-12,15H,1,6,13-14H2,2-3H3
InChIKeyDBWWVOLPLPQTLM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.74
Rot. Bonds8

About 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline

8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline (PubChem CID 2183338) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline
PubChem CID2183338
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline
SMILESC=CCc1ccc(OCCOc2cccc3ccc(C)nc23)c(OC)c1
InChIInChI=1S/C22H23NO3/c1-4-6-17-10-12-19(21(15-17)24-3)25-13-14-26-20-8-5-7-18-11-9-16(2)23-22(18)20/h4-5,7-12,15H,1,6,13-14H2,2-3H3
InChIKeyDBWWVOLPLPQTLM-UHFFFAOYSA-N
XLogP4.74
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-(2-methoxy-4-prop-2-enylphenoxy)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-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline?
The IUPAC name of 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline (CID 2183338) is 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline.
What is the SMILES notation for 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline?
The canonical SMILES for 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline is C=CCc1ccc(OCCOc2cccc3ccc(C)nc23)c(OC)c1.
What is the InChIKey of 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline?
The InChIKey is DBWWVOLPLPQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-4-6-17-10-12-19(21(15-17)24-3)25-13-14-26-20-8-5-7-18-11-9-16(2)23-22(18)20/h4-5,7-12,15H,1,6,13-14H2,2-3H3.
What are the key properties of 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline?
8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline has a molecular weight of 349.43 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline is sourced from PubChem (CID 2183338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).