2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one

C23H28FN3O3Si — CID 175181754

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one
SMILESCC1(C)OCC(Cn2ccc3cncc(Nc4ccc([Si](C)(C)C)cc4F)c3c2=O)O1
InChIInChI=1S/C23H28FN3O3Si/c1-23(2)29-14-16(30-23)13-27-9-8-15-11-25-12-20(21(15)22(27)28)26-19-7-6-17(10-18(19)24)31(3,4)5/h6-12,16,26H,13-14H2,1-5H3
InChIKeyRWBAIIZTFFLYMI-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.98
Rot. Bonds5

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one (PubChem CID 175181754) has the molecular formula C23H28FN3O3Si and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one
PubChem CID175181754
Molecular FormulaC23H28FN3O3Si
Molecular Weight441.58 g/mol
Exact Mass441.19
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one
SMILESCC1(C)OCC(Cn2ccc3cncc(Nc4ccc([Si](C)(C)C)cc4F)c3c2=O)O1
InChIInChI=1S/C23H28FN3O3Si/c1-23(2)29-14-16(30-23)13-27-9-8-15-11-25-12-20(21(15)22(27)28)26-19-7-6-17(10-18(19)24)31(3,4)5/h6-12,16,26H,13-14H2,1-5H3
InChIKeyRWBAIIZTFFLYMI-UHFFFAOYSA-N
XLogP3.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one (CID 175181754) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one is CC1(C)OCC(Cn2ccc3cncc(Nc4ccc([Si](C)(C)C)cc4F)c3c2=O)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one?
The InChIKey is RWBAIIZTFFLYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3Si/c1-23(2)29-14-16(30-23)13-27-9-8-15-11-25-12-20(21(15)22(27)28)26-19-7-6-17(10-18(19)24)31(3,4)5/h6-12,16,26H,13-14H2,1-5H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one has a molecular weight of 441.58 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-(2-fluoro-4-trimethylsilylanilino)-2,6-naphthyridin-1-one is sourced from PubChem (CID 175181754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).