4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C18H16N4O — CID 17091336

IUPAC4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1cccc(-n2c(=O)c3ccccc3n3c(C)nnc23)c1C
InChIInChI=1S/C18H16N4O/c1-11-7-6-10-15(12(11)2)22-17(23)14-8-4-5-9-16(14)21-13(3)19-20-18(21)22/h4-10H,1-3H3
InChIKeyNEAYYWUAAIFXGI-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.96
Rot. Bonds1

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

4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17091336) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17091336
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1cccc(-n2c(=O)c3ccccc3n3c(C)nnc23)c1C
InChIInChI=1S/C18H16N4O/c1-11-7-6-10-15(12(11)2)22-17(23)14-8-4-5-9-16(14)21-13(3)19-20-18(21)22/h4-10H,1-3H3
InChIKeyNEAYYWUAAIFXGI-UHFFFAOYSA-N
XLogP2.96
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17091336) is 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1cccc(-n2c(=O)c3ccccc3n3c(C)nnc23)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is NEAYYWUAAIFXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-7-6-10-15(12(11)2)22-17(23)14-8-4-5-9-16(14)21-13(3)19-20-18(21)22/h4-10H,1-3H3.
What are the key properties of 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 304.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17091336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).