5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid

C18H14F4N2O3 — CID 56643209

IUPAC5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccc(CNc2ccccc2F)c2cccnc12
InChIInChI=1S/C16H13FN2O.C2HF3O2/c17-13-5-1-2-6-14(13)19-10-11-7-8-15(20)16-12(11)4-3-9-18-16;3-2(4,5)1(6)7/h1-9,19-20H,10H2;(H,6,7)
InChIKeyVNDBEDZKYQCXDR-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.32
Rot. Bonds3

About 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid

5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid (PubChem CID 56643209) has the molecular formula C18H14F4N2O3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid
PubChem CID56643209
Molecular FormulaC18H14F4N2O3
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccc(CNc2ccccc2F)c2cccnc12
InChIInChI=1S/C16H13FN2O.C2HF3O2/c17-13-5-1-2-6-14(13)19-10-11-7-8-15(20)16-12(11)4-3-9-18-16;3-2(4,5)1(6)7/h1-9,19-20H,10H2;(H,6,7)
InChIKeyVNDBEDZKYQCXDR-UHFFFAOYSA-N
XLogP4.32
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid (CID 56643209) is 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.Oc1ccc(CNc2ccccc2F)c2cccnc12.
What is the InChIKey of 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid?
The InChIKey is VNDBEDZKYQCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O.C2HF3O2/c17-13-5-1-2-6-14(13)19-10-11-7-8-15(20)16-12(11)4-3-9-18-16;3-2(4,5)1(6)7/h1-9,19-20H,10H2;(H,6,7).
What are the key properties of 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid?
5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid has a molecular weight of 382.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoroanilino)methyl]quinolin-8-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56643209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).