[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate

C24H30N2O4 — CID 24598754

IUPAC[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C24H30N2O4/c1-7-18-21(15(2)17-10-8-9-11-19(17)25-18)22(29)30-14-20(28)26-23(3,4)12-16(27)13-24(26,5)6/h8-11H,7,12-14H2,1-6H3
InChIKeyFKZUBEHCSPYDMJ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.01
Rot. Bonds4

About [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate

[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 24598754) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID24598754
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C24H30N2O4/c1-7-18-21(15(2)17-10-8-9-11-19(17)25-18)22(29)30-14-20(28)26-23(3,4)12-16(27)13-24(26,5)6/h8-11H,7,12-14H2,1-6H3
InChIKeyFKZUBEHCSPYDMJ-UHFFFAOYSA-N
XLogP4.01
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 24522199
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501896
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501904
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502520
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 24596952
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668089
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8011238
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536445
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668101
[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502548

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate (CID 24598754) is [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate is CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C.
What is the InChIKey of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is FKZUBEHCSPYDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-7-18-21(15(2)17-10-8-9-11-19(17)25-18)22(29)30-14-20(28)26-23(3,4)12-16(27)13-24(26,5)6/h8-11H,7,12-14H2,1-6H3.
What are the key properties of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 24598754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).