[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

C20H24N2O4 — CID 8825087

IUPAC[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H24N2O4/c1-12-9-22(10-13(2)26-12)18(23)11-25-20(24)19-14(3)16-7-5-6-8-17(16)21-15(19)4/h5-8,12-13H,9-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyALBWETSDXXKDCE-STQMWFEESA-N
MW356.42 g/mol
LogP2.64
Rot. Bonds3

About [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825087) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825087
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H24N2O4/c1-12-9-22(10-13(2)26-12)18(23)11-25-20(24)19-14(3)16-7-5-6-8-17(16)21-15(19)4/h5-8,12-13H,9-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyALBWETSDXXKDCE-STQMWFEESA-N
XLogP2.64
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2436151
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009952
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766683
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7296240
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825474
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18199415
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530775
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486658
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 4087645

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (CID 8825087) is [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is ALBWETSDXXKDCE-STQMWFEESA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-9-22(10-13(2)26-12)18(23)11-25-20(24)19-14(3)16-7-5-6-8-17(16)21-15(19)4/h5-8,12-13H,9-11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).