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

C24H21N3O4 — CID 2455880

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C1CN(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c2ccccc2N1
InChIInChI=1S/C24H21N3O4/c28-21-13-27(20-12-6-5-11-19(20)26-21)22(29)14-31-24(30)23-15-7-1-3-9-17(15)25-18-10-4-2-8-16(18)23/h1,3,5-7,9,11-12H,2,4,8,10,13-14H2,(H,26,28)
InChIKeyQRIVHRLIIQRZQR-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.26
Rot. Bonds3

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2455880) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2455880
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C1CN(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c2ccccc2N1
InChIInChI=1S/C24H21N3O4/c28-21-13-27(20-12-6-5-11-19(20)26-21)22(29)14-31-24(30)23-15-7-1-3-9-17(15)25-18-10-4-2-8-16(18)23/h1,3,5-7,9,11-12H,2,4,8,10,13-14H2,(H,26,28)
InChIKeyQRIVHRLIIQRZQR-UHFFFAOYSA-N
XLogP3.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16540080
[2-(azepan-1-yl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2700776
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 43015024
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8575112
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2372667
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2586208
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7300487
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8575126
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2672640
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585241
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2455880) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is O=C1CN(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is QRIVHRLIIQRZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c28-21-13-27(20-12-6-5-11-19(20)26-21)22(29)14-31-24(30)23-15-7-1-3-9-17(15)25-18-10-4-2-8-16(18)23/h1,3,5-7,9,11-12H,2,4,8,10,13-14H2,(H,26,28).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).