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

C20H20N4O4 — CID 17091365

IUPAC1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc3n12
InChIInChI=1S/C20H20N4O4/c1-5-17-21-22-20-23(19(25)13-8-6-7-9-14(13)24(17)20)12-10-15(26-2)18(28-4)16(11-12)27-3/h6-11H,5H2,1-4H3
InChIKeyXNUASUHSGDXVPZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.62
Rot. Bonds5

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

1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17091365) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17091365
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc3n12
InChIInChI=1S/C20H20N4O4/c1-5-17-21-22-20-23(19(25)13-8-6-7-9-14(13)24(17)20)12-10-15(26-2)18(28-4)16(11-12)27-3/h6-11H,5H2,1-4H3
InChIKeyXNUASUHSGDXVPZ-UHFFFAOYSA-N
XLogP2.62
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

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Related Compounds

1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091370
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
4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091375
3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16801035
3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 20880886
1-ethylsulfanyl-4-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4804883
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091379
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
1-[(4-nitrophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 46247349
1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 30088915
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17091365) is 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCc1nnc2n(-c3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc3n12.
What is the InChIKey of 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is XNUASUHSGDXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-5-17-21-22-20-23(19(25)13-8-6-7-9-14(13)24(17)20)12-10-15(26-2)18(28-4)16(11-12)27-3/h6-11H,5H2,1-4H3.
What are the key properties of 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 380.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17091365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).