7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid

C15H17F3N2O3 — CID 175881144

IUPAC7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCCn1c(=O)ccc2ccc(CCN)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N2O.C2HF3O2/c1-2-15-12-9-10(7-8-14)3-4-11(12)5-6-13(15)16;3-2(4,5)1(6)7/h3-6,9H,2,7-8,14H2,1H3;(H,6,7)
InChIKeyUIWSZYOPMDRULM-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.16
Rot. Bonds3

About 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid

7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 175881144) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID175881144
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCCn1c(=O)ccc2ccc(CCN)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N2O.C2HF3O2/c1-2-15-12-9-10(7-8-14)3-4-11(12)5-6-13(15)16;3-2(4,5)1(6)7/h3-6,9H,2,7-8,14H2,1H3;(H,6,7)
InChIKeyUIWSZYOPMDRULM-UHFFFAOYSA-N
XLogP2.16
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid (CID 175881144) is 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid is CCn1c(=O)ccc2ccc(CCN)cc21.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is UIWSZYOPMDRULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C2HF3O2/c1-2-15-12-9-10(7-8-14)3-4-11(12)5-6-13(15)16;3-2(4,5)1(6)7/h3-6,9H,2,7-8,14H2,1H3;(H,6,7).
What are the key properties of 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid?
7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 330.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-1-ethylquinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175881144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).