[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

C23H24N2O3 — CID 8825120

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C23H24N2O3/c1-5-17-10-8-9-14(2)22(17)25-20(26)13-28-23(27)21-15(3)18-11-6-7-12-19(18)24-16(21)4/h6-12H,5,13H2,1-4H3,(H,25,26)
InChIKeyIXIUBPUMCBVCCZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.52
Rot. Bonds5

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825120) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825120
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C23H24N2O3/c1-5-17-10-8-9-14(2)22(17)25-20(26)13-28-23(27)21-15(3)18-11-6-7-12-19(18)24-16(21)4/h6-12H,5,13H2,1-4H3,(H,25,26)
InChIKeyIXIUBPUMCBVCCZ-UHFFFAOYSA-N
XLogP4.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825008
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 98409585
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825162
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532315
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170402
[2-(3,4-difluoroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825006
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292194
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825051
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2700958
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55471451
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 24572233

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (CID 8825120) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is CCc1cccc(C)c1NC(=O)COC(=O)c1c(C)nc2ccccc2c1C.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is IXIUBPUMCBVCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-5-17-10-8-9-14(2)22(17)25-20(26)13-28-23(27)21-15(3)18-11-6-7-12-19(18)24-16(21)4/h6-12H,5,13H2,1-4H3,(H,25,26).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).