5-fluoro-2-(quinolin-3-ylamino)benzoic acid

C16H11FN2O2 — CID 82535805

IUPAC5-fluoro-2-(quinolin-3-ylamino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1cnc2ccccc2c1
InChIInChI=1S/C16H11FN2O2/c17-11-5-6-15(13(8-11)16(20)21)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9,19H,(H,20,21)
InChIKeyHJFOUNJWTSHSPW-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.82
Rot. Bonds3

About 5-fluoro-2-(quinolin-3-ylamino)benzoic acid

5-fluoro-2-(quinolin-3-ylamino)benzoic acid (PubChem CID 82535805) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-fluoro-2-(quinolin-3-ylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(quinolin-3-ylamino)benzoic acid
PubChem CID82535805
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name5-fluoro-2-(quinolin-3-ylamino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1cnc2ccccc2c1
InChIInChI=1S/C16H11FN2O2/c17-11-5-6-15(13(8-11)16(20)21)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9,19H,(H,20,21)
InChIKeyHJFOUNJWTSHSPW-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(quinolin-3-ylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(quinolin-3-ylamino)benzoic acid (CID 82535805) is 5-fluoro-2-(quinolin-3-ylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(quinolin-3-ylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(quinolin-3-ylamino)benzoic acid is O=C(O)c1cc(F)ccc1Nc1cnc2ccccc2c1.
What is the InChIKey of 5-fluoro-2-(quinolin-3-ylamino)benzoic acid?
The InChIKey is HJFOUNJWTSHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-11-5-6-15(13(8-11)16(20)21)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9,19H,(H,20,21).
What are the key properties of 5-fluoro-2-(quinolin-3-ylamino)benzoic acid?
5-fluoro-2-(quinolin-3-ylamino)benzoic acid has a molecular weight of 282.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(quinolin-3-ylamino)benzoic acid is sourced from PubChem (CID 82535805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).