[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C24H22N2O3 — CID 2335273

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C24H22N2O3/c27-22(26-14-13-16-7-1-6-12-21(16)26)15-29-24(28)23-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)23/h1-2,4,6-8,10,12H,3,5,9,11,13-15H2
InChIKeyUEKIAYLDIQBRNP-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.86
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2335273) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2335273
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C24H22N2O3/c27-22(26-14-13-16-7-1-6-12-21(16)26)15-29-24(28)23-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)23/h1-2,4,6-8,10,12H,3,5,9,11,13-15H2
InChIKeyUEKIAYLDIQBRNP-UHFFFAOYSA-N
XLogP3.86
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2335273) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is UEKIAYLDIQBRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-22(26-14-13-16-7-1-6-12-21(16)26)15-29-24(28)23-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)23/h1-2,4,6-8,10,12H,3,5,9,11,13-15H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2335273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).