5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one

C₂₈H₂₂N₆O₄S — CID 154071238

About 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one

5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 154071238) has the molecular formula C₂₈H₂₂N₆O₄S and a molecular weight of 538.59 g/mol. Its IUPAC name is 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

• Compound Name: 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one
• PubChem CID: 154071238
• Molecular Formula: C₂₈H₂₂N₆O₄S
• Molecular Weight: 538.59 g/mol
• Exact Mass: 538.14
• IUPAC Name: 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one
• SMILES: O=C1NS(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)c4nc(C=Cc5ccc6ccccc6n5)cn34)cc21
• InChI: InChI=1S/C28H22N6O4S/c35-28-22-15-19(6-10-25(22)39(36,37)32-28)24-16-29-26(33-11-13-38-14-12-33)27-31-21(17-34(24)27)9-8-20-7-5-18-3-1-2-4-23(18)30-20/h1-10,15-17H,11-14H2,(H,32,35)
• InChIKey: XDSLADWQLISOLJ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 118.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.59
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one?

The IUPAC name of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one (CID 154071238) is 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one.

What is the SMILES notation for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one?

The canonical SMILES for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one is O=C1NS(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)c4nc(C=Cc5ccc6ccccc6n5)cn34)cc21.

What is the InChIKey of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one?

The InChIKey is XDSLADWQLISOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O4S/c35-28-22-15-19(6-10-25(22)39(36,37)32-28)24-16-29-26(33-11-13-38-14-12-33)27-31-21(17-34(24)27)9-8-20-7-5-18-3-1-2-4-23(18)30-20/h1-10,15-17H,11-14H2,(H,32,35).

What are the key properties of 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one?

5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 538.59 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 154071238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154071238 — identifiers, structure, computed properties (public domain)

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