1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol

C18H28N2O3Si — CID 68638441

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
SMILESCOc1ccc2nccc(CC(O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C18H28N2O3Si/c1-18(2,3)24(5,6)23-12-14(21)11-13-9-10-19-15-7-8-16(22-4)20-17(13)15/h7-10,14,21H,11-12H2,1-6H3
InChIKeyYABUNUSLTHIOSG-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.56
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol (PubChem CID 68638441) has the molecular formula C18H28N2O3Si and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
PubChem CID68638441
Molecular FormulaC18H28N2O3Si
Molecular Weight348.52 g/mol
Exact Mass348.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
SMILESCOc1ccc2nccc(CC(O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C18H28N2O3Si/c1-18(2,3)24(5,6)23-12-14(21)11-13-9-10-19-15-7-8-16(22-4)20-17(13)15/h7-10,14,21H,11-12H2,1-6H3
InChIKeyYABUNUSLTHIOSG-UHFFFAOYSA-N
XLogP3.56
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol
CID 67131095
1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 67130989
3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one
CID 145493554
8-(2-cyclohexylethyl)-2-methoxy-1,5-naphthyridine
CID 68566539
tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 67378331
(1S)-1-cyclohexyl-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanol;2,3-dihydro-1,4-benzodioxin-6-ylcarbamic acid
CID 68566081
N-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]acetamide
CID 68734493
3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol
CID 67996772
(2R)-1-[(3S)-3-ethenyl-1-heptylpiperidin-4-yl]-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
CID 70206484
tert-butyl N-[(2R,3R,6S)-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-[(1S)-1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 67996106
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
CID 141309721
benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 77275542

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol (CID 68638441) is 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol is COc1ccc2nccc(CC(O)CO[Si](C)(C)C(C)(C)C)c2n1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol?
The InChIKey is YABUNUSLTHIOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3Si/c1-18(2,3)24(5,6)23-12-14(21)11-13-9-10-19-15-7-8-16(22-4)20-17(13)15/h7-10,14,21H,11-12H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol has a molecular weight of 348.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol is sourced from PubChem (CID 68638441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).