2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol

C15H21N3O2 — CID 142653424

IUPAC2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol
SMILESCC(C)(O)NCCOCCc1ccc2nccnc2c1
InChIInChI=1S/C15H21N3O2/c1-15(2,19)18-8-10-20-9-5-12-3-4-13-14(11-12)17-7-6-16-13/h3-4,6-7,11,18-19H,5,8-10H2,1-2H3
InChIKeyPTNGFOXQFALJCL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.51
Rot. Bonds7

About 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol

2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol (PubChem CID 142653424) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol
PubChem CID142653424
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol
SMILESCC(C)(O)NCCOCCc1ccc2nccnc2c1
InChIInChI=1S/C15H21N3O2/c1-15(2,19)18-8-10-20-9-5-12-3-4-13-14(11-12)17-7-6-16-13/h3-4,6-7,11,18-19H,5,8-10H2,1-2H3
InChIKeyPTNGFOXQFALJCL-UHFFFAOYSA-N
XLogP1.51
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol?
The IUPAC name of 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol (CID 142653424) is 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol is CC(C)(O)NCCOCCc1ccc2nccnc2c1.
What is the InChIKey of 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol?
The InChIKey is PTNGFOXQFALJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,19)18-8-10-20-9-5-12-3-4-13-14(11-12)17-7-6-16-13/h3-4,6-7,11,18-19H,5,8-10H2,1-2H3.
What are the key properties of 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol?
2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 142653424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).