[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

C24H21N3O4 — CID 2092924

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H21N3O4/c1-14-8-9-17(15(2)10-14)21-12-19(18-6-4-5-7-20(18)25-21)24(29)30-13-23(28)26-22-11-16(3)31-27-22/h4-12H,13H2,1-3H3,(H,26,27,28)
InChIKeyZMOTZTLINZJQRU-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.61
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (PubChem CID 2092924) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
PubChem CID2092924
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H21N3O4/c1-14-8-9-17(15(2)10-14)21-12-19(18-6-4-5-7-20(18)25-21)24(29)30-13-23(28)26-22-11-16(3)31-27-22/h4-12H,13H2,1-3H3,(H,26,27,28)
InChIKeyZMOTZTLINZJQRU-UHFFFAOYSA-N
XLogP4.61
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
CID 897342
2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1222691
N-(5-methyl-3-isoxazolyl)-2-(2-methylphenyl)-4-quinolinecarboxamide
CID 3319654
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
CID 4014148
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
CID 1223907
2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1223866
N-(5-methyl-3-isoxazolyl)-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamide
CID 4649795
2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1222333
2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1225767
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2101583
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2116857
2-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 2166873

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (CID 2092924) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The InChIKey is ZMOTZTLINZJQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-14-8-9-17(15(2)10-14)21-12-19(18-6-4-5-7-20(18)25-21)24(29)30-13-23(28)26-22-11-16(3)31-27-22/h4-12H,13H2,1-3H3,(H,26,27,28).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2092924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).