[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C27H27N3O3S — CID 2457377

IUPAC[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1C
InChIInChI=1S/C27H27N3O3S/c1-6-20-18(5)25(19-9-7-8-10-21(19)28-20)26(32)33-13-23(31)30-27-29-22(14-34-27)24-16(3)11-15(2)12-17(24)4/h7-12,14H,6,13H2,1-5H3,(H,29,30,31)
InChIKeyRJSOOGJEWSELMA-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.95
Rot. Bonds6

About [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2457377) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2457377
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1C
InChIInChI=1S/C27H27N3O3S/c1-6-20-18(5)25(19-9-7-8-10-21(19)28-20)26(32)33-13-23(31)30-27-29-22(14-34-27)24-16(3)11-15(2)12-17(24)4/h7-12,14H,6,13H2,1-5H3,(H,29,30,31)
InChIKeyRJSOOGJEWSELMA-UHFFFAOYSA-N
XLogP5.95
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 23933540
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[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2428274
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2091899
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CID 2592750
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847154
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847173
2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8927472
[2-(butylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 26830937
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8940274
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23742463

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2457377) is [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1C.
What is the InChIKey of [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is RJSOOGJEWSELMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-6-20-18(5)25(19-9-7-8-10-21(19)28-20)26(32)33-13-23(31)30-27-29-22(14-34-27)24-16(3)11-15(2)12-17(24)4/h7-12,14H,6,13H2,1-5H3,(H,29,30,31).
What are the key properties of [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 473.60 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2457377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).