7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C17H13N3O2 — CID 10334447

IUPAC7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2ccc(-c3ccccc3O)cc12
InChIInChI=1S/C17H13N3O2/c1-10-8-16-18-19-17(22)20(16)14-7-6-11(9-13(10)14)12-4-2-3-5-15(12)21/h2-9,21H,1H3,(H,19,22)
InChIKeyHPYUZYKHDWQQTR-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.86
Rot. Bonds1

About 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 10334447) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID10334447
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2ccc(-c3ccccc3O)cc12
InChIInChI=1S/C17H13N3O2/c1-10-8-16-18-19-17(22)20(16)14-7-6-11(9-13(10)14)12-4-2-3-5-15(12)21/h2-9,21H,1H3,(H,19,22)
InChIKeyHPYUZYKHDWQQTR-UHFFFAOYSA-N
XLogP2.86
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 10334447) is 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1cc2n[nH]c(=O)n2c2ccc(-c3ccccc3O)cc12.
What is the InChIKey of 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is HPYUZYKHDWQQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-8-16-18-19-17(22)20(16)14-7-6-11(9-13(10)14)12-4-2-3-5-15(12)21/h2-9,21H,1H3,(H,19,22).
What are the key properties of 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 291.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyphenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 10334447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).