6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one

C17H11FN4O2 — CID 130244550

IUPAC6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(F)cc2cc1-c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C17H11FN4O2/c18-11-1-6-15-10(7-11)8-14(17(24)19-15)16-9-22(21-20-16)12-2-4-13(23)5-3-12/h1-9,23H,(H,19,24)
InChIKeyJSOABTSYFROPOG-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.62
Rot. Bonds2

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

6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one (PubChem CID 130244550) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one
PubChem CID130244550
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(F)cc2cc1-c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C17H11FN4O2/c18-11-1-6-15-10(7-11)8-14(17(24)19-15)16-9-22(21-20-16)12-2-4-13(23)5-3-12/h1-9,23H,(H,19,24)
InChIKeyJSOABTSYFROPOG-UHFFFAOYSA-N
XLogP2.62
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one (CID 130244550) is 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccc(F)cc2cc1-c1cn(-c2ccc(O)cc2)nn1.
What is the InChIKey of 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one?
The InChIKey is JSOABTSYFROPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c18-11-1-6-15-10(7-11)8-14(17(24)19-15)16-9-22(21-20-16)12-2-4-13(23)5-3-12/h1-9,23H,(H,19,24).
What are the key properties of 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one?
6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one has a molecular weight of 322.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(4-hydroxyphenyl)triazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 130244550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).