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

IUPAC5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1NS(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)c4nc(C=Cc5ccc6ccccc6n5)cn34)cc21
InChIInChI=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)
InChIKeyXDSLADWQLISOLJ-UHFFFAOYSA-N
MW538.59 g/mol
LogP3.38
Rot. Bonds4

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 Name5-[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 CID154071238
Molecular FormulaC28H22N6O4S
Molecular Weight538.59 g/mol
Exact Mass538.14
IUPAC Name5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1NS(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)c4nc(C=Cc5ccc6ccccc6n5)cn34)cc21
InChIInChI=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)
InChIKeyXDSLADWQLISOLJ-UHFFFAOYSA-N
XLogP3.38
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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).