6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid

C15H17F3N2O3 — CID 175881148

IUPAC6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCN(C)CCc1ccc2[nH]c(=O)ccc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N2O.C2HF3O2/c1-15(2)8-7-10-3-5-12-11(9-10)4-6-13(16)14-12;3-2(4,5)1(6)7/h3-6,9H,7-8H2,1-2H3,(H,14,16);(H,6,7)
InChIKeyRIVGLNYIJDBJAA-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.27
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid

6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 175881148) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID175881148
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCN(C)CCc1ccc2[nH]c(=O)ccc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N2O.C2HF3O2/c1-15(2)8-7-10-3-5-12-11(9-10)4-6-13(16)14-12;3-2(4,5)1(6)7/h3-6,9H,7-8H2,1-2H3,(H,14,16);(H,6,7)
InChIKeyRIVGLNYIJDBJAA-UHFFFAOYSA-N
XLogP2.27
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid (CID 175881148) is 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid is CN(C)CCc1ccc2[nH]c(=O)ccc2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is RIVGLNYIJDBJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C2HF3O2/c1-15(2)8-7-10-3-5-12-11(9-10)4-6-13(16)14-12;3-2(4,5)1(6)7/h3-6,9H,7-8H2,1-2H3,(H,14,16);(H,6,7).
What are the key properties of 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 330.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175881148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).