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

C17H14N4O3 — CID 127031821

IUPAC1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCOc1ccc(-c2nnc3n(C)c(=O)c4ccccc4n23)cc1O
InChIInChI=1S/C17H14N4O3/c1-20-16(23)11-5-3-4-6-12(11)21-15(18-19-17(20)21)10-7-8-14(24-2)13(22)9-10/h3-9,22H,1-2H3
InChIKeyNCBIGGVEVRXKOH-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.96
Rot. Bonds2

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

1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 127031821) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID127031821
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCOc1ccc(-c2nnc3n(C)c(=O)c4ccccc4n23)cc1O
InChIInChI=1S/C17H14N4O3/c1-20-16(23)11-5-3-4-6-12(11)21-15(18-19-17(20)21)10-7-8-14(24-2)13(22)9-10/h3-9,22H,1-2H3
InChIKeyNCBIGGVEVRXKOH-UHFFFAOYSA-N
XLogP1.96
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 30088915
4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42600700
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242
4-methoxy-3-(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)aniline
CID 82167467
2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
CID 53405298
1-(2,3-dimethoxyphenyl)-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22516406
4-benzyl-1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22516321
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55382365
1-ethylsulfanyl-4-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4804883
1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24522023
1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091365
(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 27792234

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 127031821) is 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is COc1ccc(-c2nnc3n(C)c(=O)c4ccccc4n23)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is NCBIGGVEVRXKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-20-16(23)11-5-3-4-6-12(11)21-15(18-19-17(20)21)10-7-8-14(24-2)13(22)9-10/h3-9,22H,1-2H3.
What are the key properties of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 322.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 127031821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).