2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

C24H26N6O3S — CID 20855840

IUPAC2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1cc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)n3nc(C)nc3c2cc1OC
InChIInChI=1S/C24H26N6O3S/c1-16-25-23-18-13-20(32-2)21(33-3)14-19(18)26-24(30(23)27-16)34-15-22(31)29-11-9-28(10-12-29)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyBAPPWYNVXKRODK-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.04
Rot. Bonds6

About 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 20855840) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID20855840
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1cc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)n3nc(C)nc3c2cc1OC
InChIInChI=1S/C24H26N6O3S/c1-16-25-23-18-13-20(32-2)21(33-3)14-19(18)26-24(30(23)27-16)34-15-22(31)29-11-9-28(10-12-29)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyBAPPWYNVXKRODK-UHFFFAOYSA-N
XLogP3.04
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone 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

2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 20855857
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 15996774
2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 15991788
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-phenylethanone
CID 15993638
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 2481575
1-(4-bromophenyl)-2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 20855850
3-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 4812097
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2943015
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 20855859
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93488549

Frequently Asked Questions

What is the IUPAC name of 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 20855840) is 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is COc1cc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)n3nc(C)nc3c2cc1OC.
What is the InChIKey of 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is BAPPWYNVXKRODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-16-25-23-18-13-20(32-2)21(33-3)14-19(18)26-24(30(23)27-16)34-15-22(31)29-11-9-28(10-12-29)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 478.58 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 20855840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).