[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C22H22N2O4 — CID 7789225

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H22N2O4/c1-24(13-15-7-6-12-27-15)20(25)14-28-22(26)21-16-8-2-4-10-18(16)23-19-11-5-3-9-17(19)21/h2,4,6-8,10,12H,3,5,9,11,13-14H2,1H3
InChIKeyQTRIPJDMKYGEOO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.52
Rot. Bonds5

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 7789225) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID7789225
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H22N2O4/c1-24(13-15-7-6-12-27-15)20(25)14-28-22(26)21-16-8-2-4-10-18(16)23-19-11-5-3-9-17(19)21/h2,4,6-8,10,12H,3,5,9,11,13-14H2,1H3
InChIKeyQTRIPJDMKYGEOO-UHFFFAOYSA-N
XLogP3.52
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789222
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889975
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 30655719
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
[2-(ethoxycarbonylamino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2627736
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
[2-(azepan-1-yl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2700776
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 2420189
[2-(2-methylanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23829628
[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16578750
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7300487
[2-(2-ethoxyanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335274

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 7789225) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is CN(Cc1ccco1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is QTRIPJDMKYGEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-24(13-15-7-6-12-27-15)20(25)14-28-22(26)21-16-8-2-4-10-18(16)23-19-11-5-3-9-17(19)21/h2,4,6-8,10,12H,3,5,9,11,13-14H2,1H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 7789225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).