2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one

C18H27ClN2O3Si — CID 140806183

IUPAC2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one
SMILESCC1(C)C(=O)N(COCC[Si](C)(C)C)C2(COC2)c2ccc(Cl)nc21
InChIInChI=1S/C18H27ClN2O3Si/c1-17(2)15-13(6-7-14(19)20-15)18(10-24-11-18)21(16(17)22)12-23-8-9-25(3,4)5/h6-7H,8-12H2,1-5H3
InChIKeyLOXXJYQWUBRDAJ-UHFFFAOYSA-N
MW382.96 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one

2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one (PubChem CID 140806183) has the molecular formula C18H27ClN2O3Si and a molecular weight of 382.96 g/mol. Its IUPAC name is 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one.

Molecular Properties

Compound Name2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one
PubChem CID140806183
Molecular FormulaC18H27ClN2O3Si
Molecular Weight382.96 g/mol
Exact Mass382.15
IUPAC Name2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one
SMILESCC1(C)C(=O)N(COCC[Si](C)(C)C)C2(COC2)c2ccc(Cl)nc21
InChIInChI=1S/C18H27ClN2O3Si/c1-17(2)15-13(6-7-14(19)20-15)18(10-24-11-18)21(16(17)22)12-23-8-9-25(3,4)5/h6-7H,8-12H2,1-5H3
InChIKeyLOXXJYQWUBRDAJ-UHFFFAOYSA-N
XLogP3.39
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.96
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-6-(2-trimethylsilylethoxymethyl)spiro[1H-1,6-naphthyridine-5,3'-oxetane]-2,7-dione
CID 140806205
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
6-chloro-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-thiane]-2-one
CID 151313382
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 141450366
2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
CID 170254370
6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698326
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one?
The IUPAC name of 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one (CID 140806183) is 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one.
What is the SMILES notation for 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one?
The canonical SMILES for 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one is CC1(C)C(=O)N(COCC[Si](C)(C)C)C2(COC2)c2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one?
The InChIKey is LOXXJYQWUBRDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3Si/c1-17(2)15-13(6-7-14(19)20-15)18(10-24-11-18)21(16(17)22)12-23-8-9-25(3,4)5/h6-7H,8-12H2,1-5H3.
What are the key properties of 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one?
2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one has a molecular weight of 382.96 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8,8-dimethyl-6-(2-trimethylsilylethoxymethyl)spiro[1,6-naphthyridine-5,3'-oxetane]-7-one is sourced from PubChem (CID 140806183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).