tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane

C20H28ClNOSi — CID 90265059

IUPACtert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(C2CC2)cc(CCCl)c2cccnc12
InChIInChI=1S/C20H28ClNOSi/c1-20(2,3)24(4,5)23-19-17(14-8-9-14)13-15(10-11-21)16-7-6-12-22-18(16)19/h6-7,12-14H,8-11H2,1-5H3
InChIKeyOMOATTZTFBEFNE-UHFFFAOYSA-N
MW361.99 g/mol
LogP6.28
Rot. Bonds5

About tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane

tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane (PubChem CID 90265059) has the molecular formula C20H28ClNOSi and a molecular weight of 361.99 g/mol. Its IUPAC name is tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane
PubChem CID90265059
Molecular FormulaC20H28ClNOSi
Molecular Weight361.99 g/mol
Exact Mass361.16
IUPAC Nametert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(C2CC2)cc(CCCl)c2cccnc12
InChIInChI=1S/C20H28ClNOSi/c1-20(2,3)24(4,5)23-19-17(14-8-9-14)13-15(10-11-21)16-7-6-12-22-18(16)19/h6-7,12-14H,8-11H2,1-5H3
InChIKeyOMOATTZTFBEFNE-UHFFFAOYSA-N
XLogP6.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.99
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane (CID 90265059) is tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1c(C2CC2)cc(CCCl)c2cccnc12.
What is the InChIKey of tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane?
The InChIKey is OMOATTZTFBEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNOSi/c1-20(2,3)24(4,5)23-19-17(14-8-9-14)13-15(10-11-21)16-7-6-12-22-18(16)19/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane?
tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane has a molecular weight of 361.99 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-(2-chloroethyl)-7-cyclopropylquinolin-8-yl]oxy-dimethylsilane is sourced from PubChem (CID 90265059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).