4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C22H16N4O — CID 42600700

IUPAC4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4)nnc23)cc1
InChIInChI=1S/C22H16N4O/c1-15-11-13-17(14-12-15)25-21(27)18-9-5-6-10-19(18)26-20(23-24-22(25)26)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyWJOGTJFTASWBIM-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.01
Rot. Bonds2

About 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 42600700) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID42600700
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4)nnc23)cc1
InChIInChI=1S/C22H16N4O/c1-15-11-13-17(14-12-15)25-21(27)18-9-5-6-10-19(18)26-20(23-24-22(25)26)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyWJOGTJFTASWBIM-UHFFFAOYSA-N
XLogP4.01
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22516321
1-(2-chlorophenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42597297
1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 12957684
1-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55308389
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55308367
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
1-[(6-chloro-3-pyridinyl)methylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38863077
1-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 112775671
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 112775697
4-(4-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60564815
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
4-(2,5-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091325

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 42600700) is 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4)nnc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is WJOGTJFTASWBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-15-11-13-17(14-12-15)25-21(27)18-9-5-6-10-19(18)26-20(23-24-22(25)26)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 352.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 42600700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).