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

C18H16N4O2 — CID 17091370

IUPAC1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3ccccc3OC)c(=O)c3ccccc3n12
InChIInChI=1S/C18H16N4O2/c1-3-16-19-20-18-21(16)13-9-5-4-8-12(13)17(23)22(18)14-10-6-7-11-15(14)24-2/h4-11H,3H2,1-2H3
InChIKeyMUZPBSVCVPDIHF-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.60
Rot. Bonds3

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

1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17091370) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17091370
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3ccccc3OC)c(=O)c3ccccc3n12
InChIInChI=1S/C18H16N4O2/c1-3-16-19-20-18-21(16)13-9-5-4-8-12(13)17(23)22(18)14-10-6-7-11-15(14)24-2/h4-11H,3H2,1-2H3
InChIKeyMUZPBSVCVPDIHF-UHFFFAOYSA-N
XLogP2.60
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091365
1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 12957684
4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091359
1-ethylsulfanyl-4-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4804883
4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091375
2-ethyl-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 101460145
N-(2-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 29312344
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091379
4-(2,3-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091336
4-(2,3-dimethylphenyl)-1-ethylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 13057740
1-(2-ethoxyethylsulfanyl)-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 112784987
1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 30088915

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17091370) is 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCc1nnc2n(-c3ccccc3OC)c(=O)c3ccccc3n12.
What is the InChIKey of 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is MUZPBSVCVPDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-3-16-19-20-18-21(16)13-9-5-4-8-12(13)17(23)22(18)14-10-6-7-11-15(14)24-2/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 320.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).