[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane

C22H33N3OSi — CID 164835966

IUPAC[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane
SMILESCCc1nc2cnc3ccccc3c2n1CCCCCC(C)(C)[Si](C)(C)O
InChIInChI=1S/C22H33N3OSi/c1-6-20-24-19-16-23-18-13-9-8-12-17(18)21(19)25(20)15-11-7-10-14-22(2,3)27(4,5)26/h8-9,12-13,16,26H,6-7,10-11,14-15H2,1-5H3
InChIKeyUTSSTENHDHJDEJ-UHFFFAOYSA-N
MW383.61 g/mol
LogP5.68
Rot. Bonds8

About [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane

[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane (PubChem CID 164835966) has the molecular formula C22H33N3OSi and a molecular weight of 383.61 g/mol. Its IUPAC name is [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane
PubChem CID164835966
Molecular FormulaC22H33N3OSi
Molecular Weight383.61 g/mol
Exact Mass383.24
IUPAC Name[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane
SMILESCCc1nc2cnc3ccccc3c2n1CCCCCC(C)(C)[Si](C)(C)O
InChIInChI=1S/C22H33N3OSi/c1-6-20-24-19-16-23-18-13-9-8-12-17(18)21(19)25(20)15-11-7-10-14-22(2,3)27(4,5)26/h8-9,12-13,16,26H,6-7,10-11,14-15H2,1-5H3
InChIKeyUTSSTENHDHJDEJ-UHFFFAOYSA-N
XLogP5.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane?
The IUPAC name of [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane (CID 164835966) is [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane.
What is the SMILES notation for [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane?
The canonical SMILES for [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane is CCc1nc2cnc3ccccc3c2n1CCCCCC(C)(C)[Si](C)(C)O.
What is the InChIKey of [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane?
The InChIKey is UTSSTENHDHJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3OSi/c1-6-20-24-19-16-23-18-13-9-8-12-17(18)21(19)25(20)15-11-7-10-14-22(2,3)27(4,5)26/h8-9,12-13,16,26H,6-7,10-11,14-15H2,1-5H3.
What are the key properties of [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane?
[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane has a molecular weight of 383.61 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 164835966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).