4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine

C26H28N6O — CID 133430774

IUPAC4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
SMILESc1ccc(-c2cnc(C3CCCN(c4nc5ccccc5nc4N4CCOCC4)C3)[nH]2)cc1
InChIInChI=1S/C26H28N6O/c1-2-7-19(8-3-1)23-17-27-24(28-23)20-9-6-12-32(18-20)26-25(31-13-15-33-16-14-31)29-21-10-4-5-11-22(21)30-26/h1-5,7-8,10-11,17,20H,6,9,12-16,18H2,(H,27,28)
InChIKeyGCMYZCGGETZMNH-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.24
Rot. Bonds4

About 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine

4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine (PubChem CID 133430774) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
PubChem CID133430774
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
SMILESc1ccc(-c2cnc(C3CCCN(c4nc5ccccc5nc4N4CCOCC4)C3)[nH]2)cc1
InChIInChI=1S/C26H28N6O/c1-2-7-19(8-3-1)23-17-27-24(28-23)20-9-6-12-32(18-20)26-25(31-13-15-33-16-14-31)29-21-10-4-5-11-22(21)30-26/h1-5,7-8,10-11,17,20H,6,9,12-16,18H2,(H,27,28)
InChIKeyGCMYZCGGETZMNH-UHFFFAOYSA-N
XLogP4.24
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine (CID 133430774) is 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine is c1ccc(-c2cnc(C3CCCN(c4nc5ccccc5nc4N4CCOCC4)C3)[nH]2)cc1.
What is the InChIKey of 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
The InChIKey is GCMYZCGGETZMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-2-7-19(8-3-1)23-17-27-24(28-23)20-9-6-12-32(18-20)26-25(31-13-15-33-16-14-31)29-21-10-4-5-11-22(21)30-26/h1-5,7-8,10-11,17,20H,6,9,12-16,18H2,(H,27,28).
What are the key properties of 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine has a molecular weight of 440.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine is sourced from PubChem (CID 133430774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).