3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide

C25H28N4O2S2 — CID 142989803

About 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide

3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide (PubChem CID 142989803) has the molecular formula C25H28N4O2S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide
• PubChem CID: 142989803
• Molecular Formula: C25H28N4O2S2
• Molecular Weight: 480.66 g/mol
• Exact Mass: 480.17
• IUPAC Name: 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide
• SMILES: C=C(S/C=C\CC)c1nc2cc(C(=O)NCCN3CCOCC3)ccc2nc1-c1cccs1
• InChI: InChI=1S/C25H28N4O2S2/c1-3-4-15-32-18(2)23-24(22-6-5-16-33-22)27-20-8-7-19(17-21(20)28-23)25(30)26-9-10-29-11-13-31-14-12-29/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,30)/b15-4-
• InChIKey: LUMKUGFIRWWUDG-TVPGTPATSA-N
• XLogP: 5.05
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.66
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide?

The IUPAC name of 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide (CID 142989803) is 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide.

What is the SMILES notation for 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide?

The canonical SMILES for 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide is C=C(S/C=C\CC)c1nc2cc(C(=O)NCCN3CCOCC3)ccc2nc1-c1cccs1.

What is the InChIKey of 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide?

The InChIKey is LUMKUGFIRWWUDG-TVPGTPATSA-N. The full InChI is InChI=1S/C25H28N4O2S2/c1-3-4-15-32-18(2)23-24(22-6-5-16-33-22)27-20-8-7-19(17-21(20)28-23)25(30)26-9-10-29-11-13-31-14-12-29/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,30)/b15-4-.

What are the key properties of 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide?

3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 142989803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).