5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

C14H19F3N2O2 — CID 81115087

IUPAC5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCOCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-18-11-3-2-4-12-10(11)5-6-13(20)19(12)7-8-21-9-14(15,16)17/h5-6,11,18H,2-4,7-9H2,1H3
InChIKeyBXLXEMPYAZNDNG-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.02
Rot. Bonds5

About 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81115087) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81115087
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCOCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-18-11-3-2-4-12-10(11)5-6-13(20)19(12)7-8-21-9-14(15,16)17/h5-6,11,18H,2-4,7-9H2,1H3
InChIKeyBXLXEMPYAZNDNG-UHFFFAOYSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 81115087) is 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is CNC1CCCc2c1ccc(=O)n2CCOCC(F)(F)F.
What is the InChIKey of 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is BXLXEMPYAZNDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-18-11-3-2-4-12-10(11)5-6-13(20)19(12)7-8-21-9-14(15,16)17/h5-6,11,18H,2-4,7-9H2,1H3.
What are the key properties of 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 304.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81115087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).