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

C32H35N5O4 — CID 86345854

IUPAC4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCOCCOc1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1
InChIInChI=1S/C32H35N5O4/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/h2-9,12-13,22-23H,10-11,14-21H2,1H3
InChIKeyPJMMFLGWBWHOFY-UHFFFAOYSA-N
MW553.66 g/mol
LogP4.61
Rot. Bonds12

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

4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345854) has the molecular formula C32H35N5O4 and a molecular weight of 553.66 g/mol. Its IUPAC name is 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345854
Molecular FormulaC32H35N5O4
Molecular Weight553.66 g/mol
Exact Mass553.27
IUPAC Name4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCOCCOc1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1
InChIInChI=1S/C32H35N5O4/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/h2-9,12-13,22-23H,10-11,14-21H2,1H3
InChIKeyPJMMFLGWBWHOFY-UHFFFAOYSA-N
XLogP4.61
TPSA83.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.66
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345854) is 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is COCCOCCOc1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1.
What is the InChIKey of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is PJMMFLGWBWHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4/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/h2-9,12-13,22-23H,10-11,14-21H2,1H3.
What are the key properties of 4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 553.66 g/mol, XLogP of 4.61, 12 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-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).