6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C28H33FN6O5 — CID 71152981

IUPAC6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNCC(O)COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1
InChIInChI=1S/C28H33FN6O5/c29-20-13-31-21-2-4-24(39-14-18(36)11-30)35-25(21)19(20)5-6-28-9-7-27(8-10-28,16-40-28)32-12-17-1-3-22-26(33-17)34-23(37)15-38-22/h1-4,13,18,32,36H,5-12,14-16,30H2,(H,33,34,37)
InChIKeyDFTZBCABZMFRQY-UHFFFAOYSA-N
MW552.61 g/mol
LogP2.00
Rot. Bonds10

About 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 71152981) has the molecular formula C28H33FN6O5 and a molecular weight of 552.61 g/mol. Its IUPAC name is 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID71152981
Molecular FormulaC28H33FN6O5
Molecular Weight552.61 g/mol
Exact Mass552.25
IUPAC Name6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNCC(O)COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1
InChIInChI=1S/C28H33FN6O5/c29-20-13-31-21-2-4-24(39-14-18(36)11-30)35-25(21)19(20)5-6-28-9-7-27(8-10-28,16-40-28)32-12-17-1-3-22-26(33-17)34-23(37)15-38-22/h1-4,13,18,32,36H,5-12,14-16,30H2,(H,33,34,37)
InChIKeyDFTZBCABZMFRQY-UHFFFAOYSA-N
XLogP2.00
TPSA153.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.61
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 71152981) is 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is NCC(O)COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1.
What is the InChIKey of 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is DFTZBCABZMFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6O5/c29-20-13-31-21-2-4-24(39-14-18(36)11-30)35-25(21)19(20)5-6-28-9-7-27(8-10-28,16-40-28)32-12-17-1-3-22-26(33-17)34-23(37)15-38-22/h1-4,13,18,32,36H,5-12,14-16,30H2,(H,33,34,37).
What are the key properties of 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 552.61 g/mol, XLogP of 2.00, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[6-(3-amino-2-hydroxypropoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 71152981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).