2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate

C22H21NO3 — CID 4209036

IUPAC2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(OCCOc1ccccc1)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H21NO3/c24-22(26-15-14-25-16-8-2-1-3-9-16)21-17-10-4-6-12-19(17)23-20-13-7-5-11-18(20)21/h1-4,6,8-10,12H,5,7,11,13-15H2
InChIKeyWQPJPMSYNYMTCU-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.35
Rot. Bonds5

About 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate

2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 4209036) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID4209036
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(OCCOc1ccccc1)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H21NO3/c24-22(26-15-14-25-16-8-2-1-3-9-16)21-17-10-4-6-12-19(17)23-20-13-7-5-11-18(20)21/h1-4,6,8-10,12H,5,7,11,13-15H2
InChIKeyWQPJPMSYNYMTCU-UHFFFAOYSA-N
XLogP4.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516
2-(4-chlorophenoxy)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 5021618
3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7276947
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
[2-(3-methoxyphenyl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2146251
(2-fluorophenyl)methyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7277092
[2-(azepan-1-yl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2700776
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
[2-(cyclohexylamino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23771577
[2-(4-ethoxyanilino)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7277152
2-(4-methoxyphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3658736

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 4209036) is 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate is O=C(OCCOc1ccccc1)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is WQPJPMSYNYMTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-22(26-15-14-25-16-8-2-1-3-9-16)21-17-10-4-6-12-19(17)23-20-13-7-5-11-18(20)21/h1-4,6,8-10,12H,5,7,11,13-15H2.
What are the key properties of 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 4209036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).