2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol

C20H17N5O — CID 164611829

IUPAC2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol
SMILESOCC(Nc1cncc(-c2ccc3nccnc3c2)n1)c1ccccc1
InChIInChI=1S/C20H17N5O/c26-13-19(14-4-2-1-3-5-14)25-20-12-21-11-18(24-20)15-6-7-16-17(10-15)23-9-8-22-16/h1-12,19,26H,13H2,(H,24,25)
InChIKeyBCWUKFIVRTWKQK-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.23
Rot. Bonds5

About 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol

2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol (PubChem CID 164611829) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol
PubChem CID164611829
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol
SMILESOCC(Nc1cncc(-c2ccc3nccnc3c2)n1)c1ccccc1
InChIInChI=1S/C20H17N5O/c26-13-19(14-4-2-1-3-5-14)25-20-12-21-11-18(24-20)15-6-7-16-17(10-15)23-9-8-22-16/h1-12,19,26H,13H2,(H,24,25)
InChIKeyBCWUKFIVRTWKQK-UHFFFAOYSA-N
XLogP3.23
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol?
The IUPAC name of 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol (CID 164611829) is 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol?
The canonical SMILES for 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol is OCC(Nc1cncc(-c2ccc3nccnc3c2)n1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol?
The InChIKey is BCWUKFIVRTWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-13-19(14-4-2-1-3-5-14)25-20-12-21-11-18(24-20)15-6-7-16-17(10-15)23-9-8-22-16/h1-12,19,26H,13H2,(H,24,25).
What are the key properties of 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol?
2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol has a molecular weight of 343.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(6-quinoxalin-6-ylpyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 164611829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).