[3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate

C16H15F3N2O3 — CID 134951245

IUPAC[3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate
SMILESCC(=O)OCC(C)(C(=O)Nc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-10(22)24-9-15(2,16(17,18)19)14(23)21-12-7-3-5-11-6-4-8-20-13(11)12/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyFCZFCZNCVODKDR-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.31
Rot. Bonds4

About [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate

[3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate (PubChem CID 134951245) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate.

Molecular Properties

Compound Name[3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate
PubChem CID134951245
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name[3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate
SMILESCC(=O)OCC(C)(C(=O)Nc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-10(22)24-9-15(2,16(17,18)19)14(23)21-12-7-3-5-11-6-4-8-20-13(11)12/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyFCZFCZNCVODKDR-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate?
The IUPAC name of [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate (CID 134951245) is [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate.
What is the SMILES notation for [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate?
The canonical SMILES for [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate is CC(=O)OCC(C)(C(=O)Nc1cccc2cccnc12)C(F)(F)F.
What is the InChIKey of [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate?
The InChIKey is FCZFCZNCVODKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-10(22)24-9-15(2,16(17,18)19)14(23)21-12-7-3-5-11-6-4-8-20-13(11)12/h3-8H,9H2,1-2H3,(H,21,23).
What are the key properties of [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate?
[3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate has a molecular weight of 340.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-2-methyl-2-(quinolin-8-ylcarbamoyl)propyl] acetate is sourced from PubChem (CID 134951245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).