1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C24H25ClN6O3 — CID 27135746

IUPAC1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(CN4CCN(C(C)=O)CC4)nnc23)cc1
InChIInChI=1S/C24H25ClN6O3/c1-3-34-19-7-5-18(6-8-19)30-23(33)20-9-4-17(25)14-21(20)31-22(26-27-24(30)31)15-28-10-12-29(13-11-28)16(2)32/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyRMGYYXAGZGMSIW-UHFFFAOYSA-N
MW480.96 g/mol
LogP2.75
Rot. Bonds5

About 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 27135746) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID27135746
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC Name1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(CN4CCN(C(C)=O)CC4)nnc23)cc1
InChIInChI=1S/C24H25ClN6O3/c1-3-34-19-7-5-18(6-8-19)30-23(33)20-9-4-17(25)14-21(20)31-22(26-27-24(30)31)15-28-10-12-29(13-11-28)16(2)32/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyRMGYYXAGZGMSIW-UHFFFAOYSA-N
XLogP2.75
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[8-chloro-4-(4-ethoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]methyl 1-(3,4-difluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylate
CID 166348237
[8-chloro-4-(4-ethoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]methyl 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 166352058
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858415
[8-chloro-4-(4-ethoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]methyl 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 166345300
2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]butanoic acid
CID 42810748
8-chloro-4-(4-ethoxyphenyl)-1-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 167977084
(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
CID 93302190
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
2,6-bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731134
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 56814014
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 39191582
1-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 112775671

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 27135746) is 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(CN4CCN(C(C)=O)CC4)nnc23)cc1.
What is the InChIKey of 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is RMGYYXAGZGMSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-3-34-19-7-5-18(6-8-19)30-23(33)20-9-4-17(25)14-21(20)31-22(26-27-24(30)31)15-28-10-12-29(13-11-28)16(2)32/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 480.96 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 27135746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).