5-[(2-fluoroanilino)methyl]quinolin-8-ol

C16H13FN2O — CID 655278

IUPAC5-[(2-fluoroanilino)methyl]quinolin-8-ol
SMILESOc1ccc(CNc2ccccc2F)c2cccnc12
InChIInChI=1S/C16H13FN2O/c17-13-5-1-2-6-14(13)19-10-11-7-8-15(20)16-12(11)4-3-9-18-16/h1-9,19-20H,10H2
InChIKeyIBWIAHQQJVGIDZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.69
Rot. Bonds3

About 5-[(2-fluoroanilino)methyl]quinolin-8-ol

5-[(2-fluoroanilino)methyl]quinolin-8-ol (PubChem CID 655278) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-[(2-fluoroanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(2-fluoroanilino)methyl]quinolin-8-ol
PubChem CID655278
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name5-[(2-fluoroanilino)methyl]quinolin-8-ol
SMILESOc1ccc(CNc2ccccc2F)c2cccnc12
InChIInChI=1S/C16H13FN2O/c17-13-5-1-2-6-14(13)19-10-11-7-8-15(20)16-12(11)4-3-9-18-16/h1-9,19-20H,10H2
InChIKeyIBWIAHQQJVGIDZ-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoroanilino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(2-fluoroanilino)methyl]quinolin-8-ol (CID 655278) is 5-[(2-fluoroanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(2-fluoroanilino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(2-fluoroanilino)methyl]quinolin-8-ol is Oc1ccc(CNc2ccccc2F)c2cccnc12.
What is the InChIKey of 5-[(2-fluoroanilino)methyl]quinolin-8-ol?
The InChIKey is IBWIAHQQJVGIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-5-1-2-6-14(13)19-10-11-7-8-15(20)16-12(11)4-3-9-18-16/h1-9,19-20H,10H2.
What are the key properties of 5-[(2-fluoroanilino)methyl]quinolin-8-ol?
5-[(2-fluoroanilino)methyl]quinolin-8-ol has a molecular weight of 268.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoroanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 655278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).