ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate

About ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate

ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate (PubChem CID 86655062) has the molecular formula C30H39F3N2O6Si and a molecular weight of 608.73 g/mol. Its IUPAC name is ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name	ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate
PubChem CID	86655062
Molecular Formula	C30H39F3N2O6Si
Molecular Weight	608.73 g/mol
Exact Mass	608.25
IUPAC Name	ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate
SMILES	CCOC(=O)c1cn([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)c2nc(OC)c(COc3c(F)cc(F)cc3F)cc2c1=O
InChI	InChI=1S/C30H39F3N2O6Si/c1-10-39-29(37)21-14-35(24(17(2)3)16-41-42(8,9)30(4,5)6)27-20(25(21)36)11-18(28(34-27)38-7)15-40-26-22(32)12-19(31)13-23(26)33/h11-14,17,24H,10,15-16H2,1-9H3/t24-/m1/s1
InChIKey	QXVLWANCPJWNAU-XMMPIXPASA-N
XLogP	6.80
TPSA	88.88 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.73
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate (CID 86655062) is ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)c2nc(OC)c(COc3c(F)cc(F)cc3F)cc2c1=O.

What is the InChIKey of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate?

The InChIKey is QXVLWANCPJWNAU-XMMPIXPASA-N. The full InChI is InChI=1S/C30H39F3N2O6Si/c1-10-39-29(37)21-14-35(24(17(2)3)16-41-42(8,9)30(4,5)6)27-20(25(21)36)11-18(28(34-27)38-7)15-40-26-22(32)12-19(31)13-23(26)33/h11-14,17,24H,10,15-16H2,1-9H3/t24-/m1/s1.

What are the key properties of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate?

ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate has a molecular weight of 608.73 g/mol, XLogP of 6.80, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-6-[(2,4,6-trifluorophenoxy)methyl]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 86655062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).