[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane

C23H24F6N2OSi — CID 14254845

IUPAC[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C(Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccccn1
InChIInChI=1S/C23H24F6N2OSi/c1-21(2,3)33(4,5)20(16-11-6-7-12-30-16)32-17-13-18(23(27,28)29)31-19-14(17)9-8-10-15(19)22(24,25)26/h6-13,20H,1-5H3
InChIKeyBDNKOVDNMRPJQM-UHFFFAOYSA-N
MW486.53 g/mol
LogP7.84
Rot. Bonds4

About [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane

[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane (PubChem CID 14254845) has the molecular formula C23H24F6N2OSi and a molecular weight of 486.53 g/mol. Its IUPAC name is [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane
PubChem CID14254845
Molecular FormulaC23H24F6N2OSi
Molecular Weight486.53 g/mol
Exact Mass486.16
IUPAC Name[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C(Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccccn1
InChIInChI=1S/C23H24F6N2OSi/c1-21(2,3)33(4,5)20(16-11-6-7-12-30-16)32-17-13-18(23(27,28)29)31-19-14(17)9-8-10-15(19)22(24,25)26/h6-13,20H,1-5H3
InChIKeyBDNKOVDNMRPJQM-UHFFFAOYSA-N
XLogP7.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane?
The IUPAC name of [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane (CID 14254845) is [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane?
The canonical SMILES for [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)C(Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccccn1.
What is the InChIKey of [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane?
The InChIKey is BDNKOVDNMRPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2OSi/c1-21(2,3)33(4,5)20(16-11-6-7-12-30-16)32-17-13-18(23(27,28)29)31-19-14(17)9-8-10-15(19)22(24,25)26/h6-13,20H,1-5H3.
What are the key properties of [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane?
[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane has a molecular weight of 486.53 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 14254845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).