4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine

C26H25N3O2 — CID 118726433

IUPAC4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-6-20(7-3-1)25-26(28-24-9-5-4-8-23(24)27-25)21-10-12-22(13-11-21)31-19-16-29-14-17-30-18-15-29/h1-13H,14-19H2
InChIKeyFTIFNWWAOCMFPB-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.67
Rot. Bonds6

About 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine

4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine (PubChem CID 118726433) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine
PubChem CID118726433
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-6-20(7-3-1)25-26(28-24-9-5-4-8-23(24)27-25)21-10-12-22(13-11-21)31-19-16-29-14-17-30-18-15-29/h1-13H,14-19H2
InChIKeyFTIFNWWAOCMFPB-UHFFFAOYSA-N
XLogP4.67
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine (CID 118726433) is 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine is c1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is FTIFNWWAOCMFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-6-20(7-3-1)25-26(28-24-9-5-4-8-23(24)27-25)21-10-12-22(13-11-21)31-19-16-29-14-17-30-18-15-29/h1-13H,14-19H2.
What are the key properties of 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 411.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 118726433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).