[2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate

C23H24N2O3 — CID 134951247

IUPAC[2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate
SMILESCCC(COC(C)=O)(Cc1ccccc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H24N2O3/c1-3-23(16-28-17(2)26,15-18-9-5-4-6-10-18)22(27)25-20-13-7-11-19-12-8-14-24-21(19)20/h4-14H,3,15-16H2,1-2H3,(H,25,27)
InChIKeyKYAGWURAGXZJPR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.38
Rot. Bonds7

About [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate

[2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate (PubChem CID 134951247) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate.

Molecular Properties

Compound Name[2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate
PubChem CID134951247
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate
SMILESCCC(COC(C)=O)(Cc1ccccc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H24N2O3/c1-3-23(16-28-17(2)26,15-18-9-5-4-6-10-18)22(27)25-20-13-7-11-19-12-8-14-24-21(19)20/h4-14H,3,15-16H2,1-2H3,(H,25,27)
InChIKeyKYAGWURAGXZJPR-UHFFFAOYSA-N
XLogP4.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate?
The IUPAC name of [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate (CID 134951247) is [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate.
What is the SMILES notation for [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate?
The canonical SMILES for [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate is CCC(COC(C)=O)(Cc1ccccc1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate?
The InChIKey is KYAGWURAGXZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-23(16-28-17(2)26,15-18-9-5-4-6-10-18)22(27)25-20-13-7-11-19-12-8-14-24-21(19)20/h4-14H,3,15-16H2,1-2H3,(H,25,27).
What are the key properties of [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate?
[2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate has a molecular weight of 376.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-2-(quinolin-8-ylcarbamoyl)butyl] acetate is sourced from PubChem (CID 134951247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).