6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H17N5S — CID 24910732

About 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910732) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910732
• Molecular Formula: C20H17N5S
• Molecular Weight: 359.46 g/mol
• Exact Mass: 359.12
• IUPAC Name: 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1csc(-c2ncc3c(n2)CCN(Cc2cnc4ccccc4n2)C3)c1
• InChI: InChI=1S/C20H17N5S/c1-2-5-18-17(4-1)21-11-15(23-18)13-25-8-7-16-14(12-25)10-22-20(24-16)19-6-3-9-26-19/h1-6,9-11H,7-8,12-13H2
• InChIKey: AMWSKJLKJHFXGJ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 54.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.46
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910732) is 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1csc(-c2ncc3c(n2)CCN(Cc2cnc4ccccc4n2)C3)c1.

What is the InChIKey of 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is AMWSKJLKJHFXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-2-5-18-17(4-1)21-11-15(23-18)13-25-8-7-16-14(12-25)10-22-20(24-16)19-6-3-9-26-19/h1-6,9-11H,7-8,12-13H2.

What are the key properties of 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 359.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).