3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid

C24H15FN4O4 — CID 122457220

IUPAC3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2cccc3ccc(-c4cn(-c5ccc(O)c(F)c5)nn4)nc23)c1
InChIInChI=1S/C24H15FN4O4/c25-18-12-16(8-10-21(18)30)29-13-20(27-28-29)19-9-7-14-3-2-6-22(23(14)26-19)33-17-5-1-4-15(11-17)24(31)32/h1-13,30H,(H,31,32)
InChIKeyBDQKYISHQMRNHJ-UHFFFAOYSA-N
MW442.41 g/mol
LogP4.82
Rot. Bonds5

About 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid

3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid (PubChem CID 122457220) has the molecular formula C24H15FN4O4 and a molecular weight of 442.41 g/mol. Its IUPAC name is 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid.

Molecular Properties

Compound Name3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid
PubChem CID122457220
Molecular FormulaC24H15FN4O4
Molecular Weight442.41 g/mol
Exact Mass442.11
IUPAC Name3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2cccc3ccc(-c4cn(-c5ccc(O)c(F)c5)nn4)nc23)c1
InChIInChI=1S/C24H15FN4O4/c25-18-12-16(8-10-21(18)30)29-13-20(27-28-29)19-9-7-14-3-2-6-22(23(14)26-19)33-17-5-1-4-15(11-17)24(31)32/h1-13,30H,(H,31,32)
InChIKeyBDQKYISHQMRNHJ-UHFFFAOYSA-N
XLogP4.82
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid?
The IUPAC name of 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid (CID 122457220) is 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid.
What is the SMILES notation for 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid?
The canonical SMILES for 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid is O=C(O)c1cccc(Oc2cccc3ccc(-c4cn(-c5ccc(O)c(F)c5)nn4)nc23)c1.
What is the InChIKey of 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid?
The InChIKey is BDQKYISHQMRNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN4O4/c25-18-12-16(8-10-21(18)30)29-13-20(27-28-29)19-9-7-14-3-2-6-22(23(14)26-19)33-17-5-1-4-15(11-17)24(31)32/h1-13,30H,(H,31,32).
What are the key properties of 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid?
3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid has a molecular weight of 442.41 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-8-yl]oxybenzoic acid is sourced from PubChem (CID 122457220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).