2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol

C15H21N3O2 — CID 22666265

IUPAC2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol
SMILESCN(CCO)CCOCCc1ccc2nccnc2c1
InChIInChI=1S/C15H21N3O2/c1-18(7-9-19)8-11-20-10-4-13-2-3-14-15(12-13)17-6-5-16-14/h2-3,5-6,12,19H,4,7-11H2,1H3
InChIKeyVZHMWHUWPOQCSD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.11
Rot. Bonds8

About 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol

2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol (PubChem CID 22666265) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol
PubChem CID22666265
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol
SMILESCN(CCO)CCOCCc1ccc2nccnc2c1
InChIInChI=1S/C15H21N3O2/c1-18(7-9-19)8-11-20-10-4-13-2-3-14-15(12-13)17-6-5-16-14/h2-3,5-6,12,19H,4,7-11H2,1H3
InChIKeyVZHMWHUWPOQCSD-UHFFFAOYSA-N
XLogP1.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol (CID 22666265) is 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol is CN(CCO)CCOCCc1ccc2nccnc2c1.
What is the InChIKey of 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol?
The InChIKey is VZHMWHUWPOQCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(7-9-19)8-11-20-10-4-13-2-3-14-15(12-13)17-6-5-16-14/h2-3,5-6,12,19H,4,7-11H2,1H3.
What are the key properties of 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol?
2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 22666265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).