4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C32H33N5O4 — CID 86345853

About 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345853) has the molecular formula C32H33N5O4 and a molecular weight of 551.65 g/mol. Its IUPAC name is 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

• Compound Name: 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
• PubChem CID: 86345853
• Molecular Formula: C32H33N5O4
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.25
• IUPAC Name: 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
• SMILES: COCCOCCOc1ccc(-c2cnc(N3CCOCC3)c3nc(/C=C/c4ccc5ccccc5n4)cn23)cc1
• InChI: InChI=1S/C32H33N5O4/c1-38-18-19-40-20-21-41-28-12-7-25(8-13-28)30-22-33-31(36-14-16-39-17-15-36)32-35-27(23-37(30)32)11-10-26-9-6-24-4-2-3-5-29(24)34-26/h2-13,22-23H,14-21H2,1H3/b11-10+
• InChIKey: MRWMFLSHVWCKQP-ZHACJKMWSA-N
• XLogP: 4.99
• TPSA: 83.24 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?

The IUPAC name of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345853) is 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

What is the SMILES notation for 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?

The canonical SMILES for 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is COCCOCCOc1ccc(-c2cnc(N3CCOCC3)c3nc(/C=C/c4ccc5ccccc5n4)cn23)cc1.

What is the InChIKey of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?

The InChIKey is MRWMFLSHVWCKQP-ZHACJKMWSA-N. The full InChI is InChI=1S/C32H33N5O4/c1-38-18-19-40-20-21-41-28-12-7-25(8-13-28)30-22-33-31(36-14-16-39-17-15-36)32-35-27(23-37(30)32)11-10-26-9-6-24-4-2-3-5-29(24)34-26/h2-13,22-23H,14-21H2,1H3/b11-10+.

What are the key properties of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?

4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 551.65 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).