tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate

C22H28FN3O5 — CID 71152920

IUPACtert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(C(O)Cn3c(=O)ccc4ncc(F)cc43)(CC1)OC2
InChIInChI=1S/C22H28FN3O5/c1-20(2,3)31-19(29)25-21-6-8-22(9-7-21,30-13-21)17(27)12-26-16-10-14(23)11-24-15(16)4-5-18(26)28/h4-5,10-11,17,27H,6-9,12-13H2,1-3H3,(H,25,29)
InChIKeyIJYFHPLIMGGSGJ-UHFFFAOYSA-N
MW433.48 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate

tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate (PubChem CID 71152920) has the molecular formula C22H28FN3O5 and a molecular weight of 433.48 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
PubChem CID71152920
Molecular FormulaC22H28FN3O5
Molecular Weight433.48 g/mol
Exact Mass433.20
IUPAC Nametert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(C(O)Cn3c(=O)ccc4ncc(F)cc43)(CC1)OC2
InChIInChI=1S/C22H28FN3O5/c1-20(2,3)31-19(29)25-21-6-8-22(9-7-21,30-13-21)17(27)12-26-16-10-14(23)11-24-15(16)4-5-18(26)28/h4-5,10-11,17,27H,6-9,12-13H2,1-3H3,(H,25,29)
InChIKeyIJYFHPLIMGGSGJ-UHFFFAOYSA-N
XLogP2.50
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[2-(7-butoxy-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 90363045
[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71153089
methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate
CID 71152659
1-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)-2-hydroxyethyl]-7-isocyano-1,5-naphthyridin-2-one
CID 123813650
tert-butyl N-[1-[2-(3-cyano-6-oxo-7,8-dihydro-5H-quinolin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 161191938
tert-butyl N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-1-ium-1-yl]carbamate
CID 91558676
tert-butyl N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 90363075
tert-butyl N-[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71153148
tert-butyl N-[1-[2-[6-(dimethylamino)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71152991
ethyl 2-[[7-fluoro-8-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxy]acetate
CID 71151131
tert-butyl N-[1-[2-[3-fluoro-6-[3-(oxan-2-yloxy)propoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71152893
tert-butyl N-[1-[2-(9-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71151215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate (CID 71152920) is tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate is CC(C)(C)OC(=O)NC12CCC(C(O)Cn3c(=O)ccc4ncc(F)cc43)(CC1)OC2.
What is the InChIKey of tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
The InChIKey is IJYFHPLIMGGSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O5/c1-20(2,3)31-19(29)25-21-6-8-22(9-7-21,30-13-21)17(27)12-26-16-10-14(23)11-24-15(16)4-5-18(26)28/h4-5,10-11,17,27H,6-9,12-13H2,1-3H3,(H,25,29).
What are the key properties of tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate?
tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate has a molecular weight of 433.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate is sourced from PubChem (CID 71152920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).