1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone

C23H17N5O2S — CID 16585536

About 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone

1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone (PubChem CID 16585536) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
• PubChem CID: 16585536
• Molecular Formula: C23H17N5O2S
• Molecular Weight: 427.49 g/mol
• Exact Mass: 427.11
• IUPAC Name: 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
• SMILES: COc1ccc(C(=O)CSc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1
• InChI: InChI=1S/C23H17N5O2S/c1-30-17-8-6-15(7-9-17)20(29)14-31-23-25-19-5-3-2-4-18(19)22-26-21(27-28(22)23)16-10-12-24-13-11-16/h2-13H,14H2,1H3
• InChIKey: YOJDWKMZNKTYIB-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 82.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.49
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?

The IUPAC name of 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone (CID 16585536) is 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone.

What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?

The canonical SMILES for 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone is COc1ccc(C(=O)CSc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?

The InChIKey is YOJDWKMZNKTYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-30-17-8-6-15(7-9-17)20(29)14-31-23-25-19-5-3-2-4-18(19)22-26-21(27-28(22)23)16-10-12-24-13-11-16/h2-13H,14H2,1H3.

What are the key properties of 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?

1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone has a molecular weight of 427.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone is sourced from PubChem (CID 16585536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).