4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine

C28H30N4O2 — CID 71462763

IUPAC4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine
SMILESC(=C/c1cnc(/C=C/c2ccc(N3CCOCC3)cc2)cn1)\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C28H30N4O2/c1(23-3-9-27(10-4-23)31-13-17-33-18-14-31)7-25-21-30-26(22-29-25)8-2-24-5-11-28(12-6-24)32-15-19-34-20-16-32/h1-12,21-22H,13-20H2/b7-1+,8-2+
InChIKeyYJCPDWCLCJKUBY-FACPPWRESA-N
MW454.57 g/mol
LogP4.49
Rot. Bonds6

About 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine

4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine (PubChem CID 71462763) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine
PubChem CID71462763
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine
SMILESC(=C/c1cnc(/C=C/c2ccc(N3CCOCC3)cc2)cn1)\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C28H30N4O2/c1(23-3-9-27(10-4-23)31-13-17-33-18-14-31)7-25-21-30-26(22-29-25)8-2-24-5-11-28(12-6-24)32-15-19-34-20-16-32/h1-12,21-22H,13-20H2/b7-1+,8-2+
InChIKeyYJCPDWCLCJKUBY-FACPPWRESA-N
XLogP4.49
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine?
The IUPAC name of 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine (CID 71462763) is 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine is C(=C/c1cnc(/C=C/c2ccc(N3CCOCC3)cc2)cn1)\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine?
The InChIKey is YJCPDWCLCJKUBY-FACPPWRESA-N. The full InChI is InChI=1S/C28H30N4O2/c1(23-3-9-27(10-4-23)31-13-17-33-18-14-31)7-25-21-30-26(22-29-25)8-2-24-5-11-28(12-6-24)32-15-19-34-20-16-32/h1-12,21-22H,13-20H2/b7-1+,8-2+.
What are the key properties of 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine?
4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine has a molecular weight of 454.57 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-[5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl]morpholine is sourced from PubChem (CID 71462763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).