2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid

C19H13FN4O4 — CID 122457239

IUPAC2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1
InChIInChI=1S/C19H13FN4O4/c20-14-8-12(2-6-18(14)25)24-9-17(22-23-24)16-4-1-11-7-13(28-10-19(26)27)3-5-15(11)21-16/h1-9,25H,10H2,(H,26,27)
InChIKeyDZQDRELMSRPZRR-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.79
Rot. Bonds5

About 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid

2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid (PubChem CID 122457239) has the molecular formula C19H13FN4O4 and a molecular weight of 380.34 g/mol. Its IUPAC name is 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid
PubChem CID122457239
Molecular FormulaC19H13FN4O4
Molecular Weight380.34 g/mol
Exact Mass380.09
IUPAC Name2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1
InChIInChI=1S/C19H13FN4O4/c20-14-8-12(2-6-18(14)25)24-9-17(22-23-24)16-4-1-11-7-13(28-10-19(26)27)3-5-15(11)21-16/h1-9,25H,10H2,(H,26,27)
InChIKeyDZQDRELMSRPZRR-UHFFFAOYSA-N
XLogP2.79
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid?
The IUPAC name of 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid (CID 122457239) is 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid?
The canonical SMILES for 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid is O=C(O)COc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1.
What is the InChIKey of 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid?
The InChIKey is DZQDRELMSRPZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O4/c20-14-8-12(2-6-18(14)25)24-9-17(22-23-24)16-4-1-11-7-13(28-10-19(26)27)3-5-15(11)21-16/h1-9,25H,10H2,(H,26,27).
What are the key properties of 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid?
2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid has a molecular weight of 380.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-6-yl]oxyacetic acid is sourced from PubChem (CID 122457239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).