[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C18H18N2O4 — CID 2332627

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O4/c1-2-23-17-14(7-5-10-19-17)18(22)24-12-16(21)20-11-9-13-6-3-4-8-15(13)20/h3-8,10H,2,9,11-12H2,1H3
InChIKeyBAYVQBPIHNKQPC-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.23
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2332627) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2332627
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O4/c1-2-23-17-14(7-5-10-19-17)18(22)24-12-16(21)20-11-9-13-6-3-4-8-15(13)20/h3-8,10H,2,9,11-12H2,1H3
InChIKeyBAYVQBPIHNKQPC-UHFFFAOYSA-N
XLogP2.23
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2332627) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is BAYVQBPIHNKQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-23-17-14(7-5-10-19-17)18(22)24-12-16(21)20-11-9-13-6-3-4-8-15(13)20/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2332627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).