2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C13H16F3N3O2 — CID 81116025

IUPAC2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1CCCc2c1ccc(=O)n2CC(=O)NCC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-18-11(20)6-19-10-3-1-2-9(17)8(10)4-5-12(19)21/h4-5,9H,1-3,6-7,17H2,(H,18,20)
InChIKeyJYCTYOOGVGQUSY-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.86
Rot. Bonds3

About 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81116025) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81116025
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1CCCc2c1ccc(=O)n2CC(=O)NCC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-18-11(20)6-19-10-3-1-2-9(17)8(10)4-5-12(19)21/h4-5,9H,1-3,6-7,17H2,(H,18,20)
InChIKeyJYCTYOOGVGQUSY-UHFFFAOYSA-N
XLogP0.86
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81116025) is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is NC1CCCc2c1ccc(=O)n2CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JYCTYOOGVGQUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)7-18-11(20)6-19-10-3-1-2-9(17)8(10)4-5-12(19)21/h4-5,9H,1-3,6-7,17H2,(H,18,20).
What are the key properties of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 303.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81116025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).