1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one

C15H22N2O4 — CID 104566166

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
SMILESCOCCOCCOCCN1C(=O)CNc2ccccc21
InChIInChI=1S/C15H22N2O4/c1-19-8-9-21-11-10-20-7-6-17-14-5-3-2-4-13(14)16-12-15(17)18/h2-5,16H,6-12H2,1H3
InChIKeyRKHLPXFJFXVJCV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.12
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one (PubChem CID 104566166) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
PubChem CID104566166
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
SMILESCOCCOCCOCCN1C(=O)CNc2ccccc21
InChIInChI=1S/C15H22N2O4/c1-19-8-9-21-11-10-20-7-6-17-14-5-3-2-4-13(14)16-12-15(17)18/h2-5,16H,6-12H2,1H3
InChIKeyRKHLPXFJFXVJCV-UHFFFAOYSA-N
XLogP1.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.12
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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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103412197
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65446883
1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
CID 82156906
2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione
CID 94763938
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318465
4-(2-oxo-3,4-dihydroquinoxalin-1-yl)butanenitrile
CID 62876473
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
2,2-dimethyl-6-(2-oxo-3,4-dihydroquinoxalin-1-yl)hexanenitrile
CID 106713828
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030577
1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 114531269
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one (CID 104566166) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one is COCCOCCOCCN1C(=O)CNc2ccccc21.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one?
The InChIKey is RKHLPXFJFXVJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-8-9-21-11-10-20-7-6-17-14-5-3-2-4-13(14)16-12-15(17)18/h2-5,16H,6-12H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one has a molecular weight of 294.35 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 104566166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).