methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate

C16H22N2O4Si — CID 71046794

IUPACmethyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(O)cnc2c1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C16H22N2O4Si/c1-16(2,23(4,5)21)7-12-13-10(6-11(19)9-18-13)8-17-14(12)15(20)22-3/h6,8-9,19,21H,7H2,1-5H3
InChIKeyURNRKCMEPPEXFZ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.64
Rot. Bonds4

About methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate

methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate (PubChem CID 71046794) has the molecular formula C16H22N2O4Si and a molecular weight of 334.45 g/mol. Its IUPAC name is methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate
PubChem CID71046794
Molecular FormulaC16H22N2O4Si
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Namemethyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(O)cnc2c1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C16H22N2O4Si/c1-16(2,23(4,5)21)7-12-13-10(6-11(19)9-18-13)8-17-14(12)15(20)22-3/h6,8-9,19,21H,7H2,1-5H3
InChIKeyURNRKCMEPPEXFZ-UHFFFAOYSA-N
XLogP2.64
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
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 methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate (CID 71046794) is methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate is COC(=O)c1ncc2cc(O)cnc2c1CC(C)(C)[Si](C)(C)O.
What is the InChIKey of methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate?
The InChIKey is URNRKCMEPPEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4Si/c1-16(2,23(4,5)21)7-12-13-10(6-11(19)9-18-13)8-17-14(12)15(20)22-3/h6,8-9,19,21H,7H2,1-5H3.
What are the key properties of methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate?
methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate has a molecular weight of 334.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 71046794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).