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[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

C24H25N3O4 — CID 16544043

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)NC(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H25N3O4/c1-14(2)25-24(30)27-22(28)13-31-23(29)19-12-21(17-10-9-15(3)11-16(17)4)26-20-8-6-5-7-18(19)20/h5-12,14H,13H2,1-4H3,(H2,25,27,28,30)
InChIKeyIRRLPIFPOOHDLS-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.91
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (PubChem CID 16544043) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
PubChem CID16544043
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)NC(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H25N3O4/c1-14(2)25-24(30)27-22(28)13-31-23(29)19-12-21(17-10-9-15(3)11-16(17)4)26-20-8-6-5-7-18(19)20/h5-12,14H,13H2,1-4H3,(H2,25,27,28,30)
InChIKeyIRRLPIFPOOHDLS-UHFFFAOYSA-N
XLogP3.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (CID 16544043) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)NC(C)C)c3ccccc3n2)c(C)c1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The InChIKey is IRRLPIFPOOHDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-14(2)25-24(30)27-22(28)13-31-23(29)19-12-21(17-10-9-15(3)11-16(17)4)26-20-8-6-5-7-18(19)20/h5-12,14H,13H2,1-4H3,(H2,25,27,28,30).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 16544043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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