6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one

C20H20N4O3S — CID 136938764

IUPAC6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one
SMILESCCSC1=NN2C(=c3ccccc3=NC2c2ccc(OC)cc2OC)C(=O)N1
InChIInChI=1S/C20H20N4O3S/c1-4-28-20-22-19(25)17-13-7-5-6-8-15(13)21-18(24(17)23-20)14-10-9-12(26-2)11-16(14)27-3/h5-11,18H,4H2,1-3H3,(H,22,23,25)
InChIKeyXGJODWYSBIORTQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.60
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one

6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one (PubChem CID 136938764) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one
PubChem CID136938764
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one
SMILESCCSC1=NN2C(=c3ccccc3=NC2c2ccc(OC)cc2OC)C(=O)N1
InChIInChI=1S/C20H20N4O3S/c1-4-28-20-22-19(25)17-13-7-5-6-8-15(13)21-18(24(17)23-20)14-10-9-12(26-2)11-16(14)27-3/h5-11,18H,4H2,1-3H3,(H,22,23,25)
InChIKeyXGJODWYSBIORTQ-UHFFFAOYSA-N
XLogP1.60
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one (CID 136938764) is 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one is CCSC1=NN2C(=c3ccccc3=NC2c2ccc(OC)cc2OC)C(=O)N1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one?
The InChIKey is XGJODWYSBIORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-4-28-20-22-19(25)17-13-7-5-6-8-15(13)21-18(24(17)23-20)14-10-9-12(26-2)11-16(14)27-3/h5-11,18H,4H2,1-3H3,(H,22,23,25).
What are the key properties of 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one?
6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one has a molecular weight of 396.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-1-one is sourced from PubChem (CID 136938764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).