tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane

C23H30N2O3Si — CID 175844857

IUPACtert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane
SMILESCOc1cccc(-c2cc(CO[Si](C)(C)C(C)(C)C)cc3nc(OC)cnc23)c1
InChIInChI=1S/C23H30N2O3Si/c1-23(2,3)29(6,7)28-15-16-11-19(17-9-8-10-18(13-17)26-4)22-20(12-16)25-21(27-5)14-24-22/h8-14H,15H2,1-7H3
InChIKeyDDAYYOLLLPDRIW-UHFFFAOYSA-N
MW410.59 g/mol
LogP5.84
Rot. Bonds6

About tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane

tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane (PubChem CID 175844857) has the molecular formula C23H30N2O3Si and a molecular weight of 410.59 g/mol. Its IUPAC name is tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane
PubChem CID175844857
Molecular FormulaC23H30N2O3Si
Molecular Weight410.59 g/mol
Exact Mass410.20
IUPAC Nametert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane
SMILESCOc1cccc(-c2cc(CO[Si](C)(C)C(C)(C)C)cc3nc(OC)cnc23)c1
InChIInChI=1S/C23H30N2O3Si/c1-23(2,3)29(6,7)28-15-16-11-19(17-9-8-10-18(13-17)26-4)22-20(12-16)25-21(27-5)14-24-22/h8-14H,15H2,1-7H3
InChIKeyDDAYYOLLLPDRIW-UHFFFAOYSA-N
XLogP5.84
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane (CID 175844857) is tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane is COc1cccc(-c2cc(CO[Si](C)(C)C(C)(C)C)cc3nc(OC)cnc23)c1.
What is the InChIKey of tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane?
The InChIKey is DDAYYOLLLPDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3Si/c1-23(2,3)29(6,7)28-15-16-11-19(17-9-8-10-18(13-17)26-4)22-20(12-16)25-21(27-5)14-24-22/h8-14H,15H2,1-7H3.
What are the key properties of tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane has a molecular weight of 410.59 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-methoxy-8-(3-methoxyphenyl)quinoxalin-6-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 175844857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).