benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane

C23H21FN2OSi — CID 142465657

IUPACbenzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)c1c(Oc2cnc3ccccc3c2)ccnc1F
InChIInChI=1S/C23H21FN2OSi/c1-28(2,16-17-8-4-3-5-9-17)22-21(12-13-25-23(22)24)27-19-14-18-10-6-7-11-20(18)26-15-19/h3-15H,16H2,1-2H3
InChIKeySMAWIKKNPKUKIN-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.26
Rot. Bonds5

About benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane

benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane (PubChem CID 142465657) has the molecular formula C23H21FN2OSi and a molecular weight of 388.52 g/mol. Its IUPAC name is benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane.

Molecular Properties

Compound Namebenzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane
PubChem CID142465657
Molecular FormulaC23H21FN2OSi
Molecular Weight388.52 g/mol
Exact Mass388.14
IUPAC Namebenzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)c1c(Oc2cnc3ccccc3c2)ccnc1F
InChIInChI=1S/C23H21FN2OSi/c1-28(2,16-17-8-4-3-5-9-17)22-21(12-13-25-23(22)24)27-19-14-18-10-6-7-11-20(18)26-15-19/h3-15H,16H2,1-2H3
InChIKeySMAWIKKNPKUKIN-UHFFFAOYSA-N
XLogP5.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane?
The IUPAC name of benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane (CID 142465657) is benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane.
What is the SMILES notation for benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane?
The canonical SMILES for benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane is C[Si](C)(Cc1ccccc1)c1c(Oc2cnc3ccccc3c2)ccnc1F.
What is the InChIKey of benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane?
The InChIKey is SMAWIKKNPKUKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2OSi/c1-28(2,16-17-8-4-3-5-9-17)22-21(12-13-25-23(22)24)27-19-14-18-10-6-7-11-20(18)26-15-19/h3-15H,16H2,1-2H3.
What are the key properties of benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane?
benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane has a molecular weight of 388.52 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-fluoro-4-quinolin-3-yloxy-3-pyridinyl)-dimethylsilane is sourced from PubChem (CID 142465657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).