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

C24H21N3O6 — CID 2116857

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H21N3O6/c1-14-10-22(27-33-14)26-23(28)13-32-24(29)17-12-19(25-18-7-5-4-6-16(17)18)15-8-9-20(30-2)21(11-15)31-3/h4-12H,13H2,1-3H3,(H,26,27,28)
InChIKeyZCIJGJJMGJEBQX-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.01
Rot. Bonds7

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 2116857) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
PubChem CID2116857
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H21N3O6/c1-14-10-22(27-33-14)26-23(28)13-32-24(29)17-12-19(25-18-7-5-4-6-16(17)18)15-8-9-20(30-2)21(11-15)31-3/h4-12H,13H2,1-3H3,(H,26,27,28)
InChIKeyZCIJGJJMGJEBQX-UHFFFAOYSA-N
XLogP4.01
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

Pirolate
CID 135445830
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 2092924
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
CID 4014148
2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4671245
Ethyl 6-[(4-nitrophenyl)carbamoylamino]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 11998974
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
CID 1223907
[2-(Cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2478801
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
US9725465, Example 127
CID 117927089
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

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (CID 2116857) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is ZCIJGJJMGJEBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-14-10-22(27-33-14)26-23(28)13-32-24(29)17-12-19(25-18-7-5-4-6-16(17)18)15-8-9-20(30-2)21(11-15)31-3/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-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 447.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2116857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).