1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol

C15H24N2O3 — CID 106992074

IUPAC1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
SMILESCOCCOCC(O)CN1CCN(C)c2ccccc21
InChIInChI=1S/C15H24N2O3/c1-16-7-8-17(15-6-4-3-5-14(15)16)11-13(18)12-20-10-9-19-2/h3-6,13,18H,7-12H2,1-2H3
InChIKeyDHWJVQBCHGGQOK-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.97
Rot. Bonds7

About 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol

1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol (PubChem CID 106992074) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
PubChem CID106992074
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
SMILESCOCCOCC(O)CN1CCN(C)c2ccccc21
InChIInChI=1S/C15H24N2O3/c1-16-7-8-17(15-6-4-3-5-14(15)16)11-13(18)12-20-10-9-19-2/h3-6,13,18H,7-12H2,1-2H3
InChIKeyDHWJVQBCHGGQOK-UHFFFAOYSA-N
XLogP0.97
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.97
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 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol (CID 106992074) is 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol is COCCOCC(O)CN1CCN(C)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
The InChIKey is DHWJVQBCHGGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-7-8-17(15-6-4-3-5-14(15)16)11-13(18)12-20-10-9-19-2/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol is sourced from PubChem (CID 106992074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).