7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol

C21H30N2OSi — CID 69351004

IUPAC7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol
SMILESC[Si](C)(C)CCCCN1CCNc2cc(O)c(-c3ccccc3)cc21
InChIInChI=1S/C21H30N2OSi/c1-25(2,3)14-8-7-12-23-13-11-22-19-16-21(24)18(15-20(19)23)17-9-5-4-6-10-17/h4-6,9-10,15-16,22,24H,7-8,11-14H2,1-3H3
InChIKeyIYDQBPJCZAVOER-UHFFFAOYSA-N
MW354.57 g/mol
LogP5.41
Rot. Bonds6

About 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol

7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol (PubChem CID 69351004) has the molecular formula C21H30N2OSi and a molecular weight of 354.57 g/mol. Its IUPAC name is 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol.

Molecular Properties

Compound Name7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol
PubChem CID69351004
Molecular FormulaC21H30N2OSi
Molecular Weight354.57 g/mol
Exact Mass354.21
IUPAC Name7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol
SMILESC[Si](C)(C)CCCCN1CCNc2cc(O)c(-c3ccccc3)cc21
InChIInChI=1S/C21H30N2OSi/c1-25(2,3)14-8-7-12-23-13-11-22-19-16-21(24)18(15-20(19)23)17-9-5-4-6-10-17/h4-6,9-10,15-16,22,24H,7-8,11-14H2,1-3H3
InChIKeyIYDQBPJCZAVOER-UHFFFAOYSA-N
XLogP5.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol?
The IUPAC name of 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol (CID 69351004) is 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol.
What is the SMILES notation for 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol?
The canonical SMILES for 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol is C[Si](C)(C)CCCCN1CCNc2cc(O)c(-c3ccccc3)cc21.
What is the InChIKey of 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol?
The InChIKey is IYDQBPJCZAVOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2OSi/c1-25(2,3)14-8-7-12-23-13-11-22-19-16-21(24)18(15-20(19)23)17-9-5-4-6-10-17/h4-6,9-10,15-16,22,24H,7-8,11-14H2,1-3H3.
What are the key properties of 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol?
7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol has a molecular weight of 354.57 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol is sourced from PubChem (CID 69351004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).