2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide

C20H26N4O4S — CID 8581793

About 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide

2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide (PubChem CID 8581793) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
• PubChem CID: 8581793
• Molecular Formula: C20H26N4O4S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.17
• IUPAC Name: 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
• SMILES: CCCNC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1
• InChI: InChI=1S/C20H26N4O4S/c1-2-9-21-17(25)11-22-18(26)13-29-20-23-16-8-4-3-7-15(16)19(27)24(20)12-14-6-5-10-28-14/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,21,25)(H,22,26)/t14-/m1/s1
• InChIKey: XMZAHDWUCWWRBM-CQSZACIVSA-N
• XLogP: 1.31
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?

The IUPAC name of 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide (CID 8581793) is 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide.

What is the SMILES notation for 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?

The canonical SMILES for 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1.

What is the InChIKey of 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?

The InChIKey is XMZAHDWUCWWRBM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-2-9-21-17(25)11-22-18(26)13-29-20-23-16-8-4-3-7-15(16)19(27)24(20)12-14-6-5-10-28-14/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,21,25)(H,22,26)/t14-/m1/s1.

What are the key properties of 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?

2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide has a molecular weight of 418.52 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8581793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).