5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid

C19H16F3NO3 — CID 53338817

IUPAC5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccc(CCc2ccccc2)c2cccnc12
InChIInChI=1S/C17H15NO.C2HF3O2/c19-16-11-10-14(15-7-4-12-18-17(15)16)9-8-13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-7,10-12,19H,8-9H2;(H,6,7)
InChIKeyFOLUQMFGPXUZMM-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.36
Rot. Bonds3

About 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid

5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid (PubChem CID 53338817) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid
PubChem CID53338817
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccc(CCc2ccccc2)c2cccnc12
InChIInChI=1S/C17H15NO.C2HF3O2/c19-16-11-10-14(15-7-4-12-18-17(15)16)9-8-13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-7,10-12,19H,8-9H2;(H,6,7)
InChIKeyFOLUQMFGPXUZMM-UHFFFAOYSA-N
XLogP4.36
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid (CID 53338817) is 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.Oc1ccc(CCc2ccccc2)c2cccnc12.
What is the InChIKey of 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid?
The InChIKey is FOLUQMFGPXUZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO.C2HF3O2/c19-16-11-10-14(15-7-4-12-18-17(15)16)9-8-13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-7,10-12,19H,8-9H2;(H,6,7).
What are the key properties of 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid?
5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid has a molecular weight of 363.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)quinolin-8-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53338817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).