2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

C23H25N5O3S — CID 15991788

IUPAC2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)c1cccc(C)c1
InChIInChI=1S/C23H25N5O3S/c1-6-27(16-9-7-8-14(2)10-16)21(29)13-32-23-25-18-12-20(31-5)19(30-4)11-17(18)22-24-15(3)26-28(22)23/h7-12H,6,13H2,1-5H3
InChIKeyZKSPYJKDKAXUMO-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.06
Rot. Bonds7

About 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 15991788) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID15991788
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)c1cccc(C)c1
InChIInChI=1S/C23H25N5O3S/c1-6-27(16-9-7-8-14(2)10-16)21(29)13-32-23-25-18-12-20(31-5)19(30-4)11-17(18)22-24-15(3)26-28(22)23/h7-12H,6,13H2,1-5H3
InChIKeyZKSPYJKDKAXUMO-UHFFFAOYSA-N
XLogP4.06
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 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) is 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)c1cccc(C)c1.
What is the InChIKey of 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is ZKSPYJKDKAXUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-6-27(16-9-7-8-14(2)10-16)21(29)13-32-23-25-18-12-20(31-5)19(30-4)11-17(18)22-24-15(3)26-28(22)23/h7-12H,6,13H2,1-5H3.
What are the key properties of 2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 451.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 15991788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).