methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

C21H23NO4 — CID 59369310

IUPACmethyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILESCOC(=O)CC1COc2cc(OCc3cccc4c3NCCC4)ccc21
InChIInChI=1S/C21H23NO4/c1-24-20(23)10-16-13-26-19-11-17(7-8-18(16)19)25-12-15-5-2-4-14-6-3-9-22-21(14)15/h2,4-5,7-8,11,16,22H,3,6,9-10,12-13H2,1H3
InChIKeyJIUZWKOVMRVLBG-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate (PubChem CID 59369310) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
PubChem CID59369310
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILESCOC(=O)CC1COc2cc(OCc3cccc4c3NCCC4)ccc21
InChIInChI=1S/C21H23NO4/c1-24-20(23)10-16-13-26-19-11-17(7-8-18(16)19)25-12-15-5-2-4-14-6-3-9-22-21(14)15/h2,4-5,7-8,11,16,22H,3,6,9-10,12-13H2,1H3
InChIKeyJIUZWKOVMRVLBG-UHFFFAOYSA-N
XLogP3.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate 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 methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
The IUPAC name of methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate (CID 59369310) is methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
The canonical SMILES for methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate is COC(=O)CC1COc2cc(OCc3cccc4c3NCCC4)ccc21.
What is the InChIKey of methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
The InChIKey is JIUZWKOVMRVLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-24-20(23)10-16-13-26-19-11-17(7-8-18(16)19)25-12-15-5-2-4-14-6-3-9-22-21(14)15/h2,4-5,7-8,11,16,22H,3,6,9-10,12-13H2,1H3.
What are the key properties of methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate has a molecular weight of 353.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 59369310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).