2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one

C20H20N4O2 — CID 70958494

IUPAC2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one
SMILESCc1cc(C)c(O)c(-n2nc3cc4c(C)c(C)c(=O)n(C)c4cc3n2)c1
InChIInChI=1S/C20H20N4O2/c1-10-6-11(2)19(25)18(7-10)24-21-15-8-14-12(3)13(4)20(26)23(5)17(14)9-16(15)22-24/h6-9,25H,1-5H3
InChIKeyJYQLQEUUZYIAIF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.21
Rot. Bonds1

About 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one

2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one (PubChem CID 70958494) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one
PubChem CID70958494
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one
SMILESCc1cc(C)c(O)c(-n2nc3cc4c(C)c(C)c(=O)n(C)c4cc3n2)c1
InChIInChI=1S/C20H20N4O2/c1-10-6-11(2)19(25)18(7-10)24-21-15-8-14-12(3)13(4)20(26)23(5)17(14)9-16(15)22-24/h6-9,25H,1-5H3
InChIKeyJYQLQEUUZYIAIF-UHFFFAOYSA-N
XLogP3.21
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethylbenzotriazol-2-yl)-4,6-dimethylphenol;propan-2-one
CID 90812994
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
CID 54559127
2-(5-iodobenzotriazol-2-yl)-4,6-dimethylphenol
CID 144572646
N-[2-(2-hydroxy-3,5-dimethylphenyl)benzotriazol-5-yl]-3-oxobutanamide
CID 14274283
4-hydroxy-1,3,6-trimethyl-1,5-naphthyridin-2-one
CID 70883655
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
CID 84625068
1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]ethanone
CID 66970050
sodium 2-(2-hydroxy-5-methyl-3-propan-2-ylphenyl)benzotriazole-5-sulfonate
CID 88716372
2-[5,6-bis(hydroxymethyl)benzotriazol-2-yl]-6-tert-butyl-4-methylphenol
CID 89032326
2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol
CID 164618376

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one?
The IUPAC name of 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one (CID 70958494) is 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one?
The canonical SMILES for 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one is Cc1cc(C)c(O)c(-n2nc3cc4c(C)c(C)c(=O)n(C)c4cc3n2)c1.
What is the InChIKey of 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one?
The InChIKey is JYQLQEUUZYIAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-10-6-11(2)19(25)18(7-10)24-21-15-8-14-12(3)13(4)20(26)23(5)17(14)9-16(15)22-24/h6-9,25H,1-5H3.
What are the key properties of 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one?
2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one has a molecular weight of 348.41 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 70958494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).