[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C24H23FN2O3 — CID 7789222

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C24H23FN2O3/c1-27(14-16-10-12-17(25)13-11-16)22(28)15-30-24(29)23-18-6-2-4-8-20(18)26-21-9-5-3-7-19(21)23/h2,4,6,8,10-13H,3,5,7,9,14-15H2,1H3
InChIKeyNAPHYODDGYMOLA-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.07
Rot. Bonds5

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 7789222) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID7789222
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C24H23FN2O3/c1-27(14-16-10-12-17(25)13-11-16)22(28)15-30-24(29)23-18-6-2-4-8-20(18)26-21-9-5-3-7-19(21)23/h2,4,6,8,10-13H,3,5,7,9,14-15H2,1H3
InChIKeyNAPHYODDGYMOLA-UHFFFAOYSA-N
XLogP4.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789225
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889975
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8908220
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 18203251
[2-(4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335607
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
3-(4-fluorophenoxy)propyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7276947
[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16578750
[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
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7223517
[2-(2-ethoxyanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335274

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 7789222) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is NAPHYODDGYMOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-27(14-16-10-12-17(25)13-11-16)22(28)15-30-24(29)23-18-6-2-4-8-20(18)26-21-9-5-3-7-19(21)23/h2,4,6,8,10-13H,3,5,7,9,14-15H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 7789222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).