[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C27H27N3O4 — CID 46668677

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3N3CCCC3=O)c2C1
InChIInChI=1S/C27H27N3O4/c1-17-12-13-21-19(15-17)26(18-7-2-3-8-20(18)28-21)27(33)34-16-24(31)29-22-9-4-5-10-23(22)30-14-6-11-25(30)32/h2-5,7-10,17H,6,11-16H2,1H3,(H,29,31)
InChIKeyIMXRLWUWNLXWBU-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.28
Rot. Bonds5

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 46668677) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID46668677
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3N3CCCC3=O)c2C1
InChIInChI=1S/C27H27N3O4/c1-17-12-13-21-19(15-17)26(18-7-2-3-8-20(18)28-21)27(33)34-16-24(31)29-22-9-4-5-10-23(22)30-14-6-11-25(30)32/h2-5,7-10,17H,6,11-16H2,1H3,(H,29,31)
InChIKeyIMXRLWUWNLXWBU-UHFFFAOYSA-N
XLogP4.28
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 24564830
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139142
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2632002
[2-(2-cyanoanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3482518
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
[2-(4-iodoanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23857693
dimethyl 2-[[2-(2-methyl-1,2,3,4-tetrahydroacridine-9-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 23996487
[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16533517
[2-(methylcarbamoylamino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2631999
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696059

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 46668677) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3N3CCCC3=O)c2C1.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is IMXRLWUWNLXWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-17-12-13-21-19(15-17)26(18-7-2-3-8-20(18)28-21)27(33)34-16-24(31)29-22-9-4-5-10-23(22)30-14-6-11-25(30)32/h2-5,7-10,17H,6,11-16H2,1H3,(H,29,31).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 46668677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).