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

C25H30FN3O4 — CID 71151215

IUPACtert-butyl N-[1-[2-(9-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(CCn3c(=O)c4cccn4c4c(F)cccc43)(CC1)OC2
InChIInChI=1S/C25H30FN3O4/c1-23(2,3)33-22(31)27-24-9-11-25(12-10-24,32-16-24)13-15-29-18-7-4-6-17(26)20(18)28-14-5-8-19(28)21(29)30/h4-8,14H,9-13,15-16H2,1-3H3,(H,27,31)
InChIKeyQLDXVWDRMCIOPS-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.39
Rot. Bonds4

About 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

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 (PubChem CID 71151215) has the molecular formula C25H30FN3O4 and a molecular weight of 455.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(9-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
PubChem CID71151215
Molecular FormulaC25H30FN3O4
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Nametert-butyl N-[1-[2-(9-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(CCn3c(=O)c4cccn4c4c(F)cccc43)(CC1)OC2
InChIInChI=1S/C25H30FN3O4/c1-23(2,3)33-22(31)27-24-9-11-25(12-10-24,32-16-24)13-15-29-18-7-4-6-17(26)20(18)28-14-5-8-19(28)21(29)30/h4-8,14H,9-13,15-16H2,1-3H3,(H,27,31)
InChIKeyQLDXVWDRMCIOPS-UHFFFAOYSA-N
XLogP4.39
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]carbamate
CID 166000369
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-[6-(dimethylamino)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71152991
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.1]heptan-1-yl]methyl acetate
CID 170907920
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-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71152920
2-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]piperidin-1-yl]acetic acid
CID 176579411
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
benzyl N-[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]ethyl]carbamate
CID 71150985
[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71151059

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NC12CCC(CCn3c(=O)c4cccn4c4c(F)cccc43)(CC1)OC2.
What is the InChIKey of 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?
The InChIKey is QLDXVWDRMCIOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4/c1-23(2,3)33-22(31)27-24-9-11-25(12-10-24,32-16-24)13-15-29-18-7-4-6-17(26)20(18)28-14-5-8-19(28)21(29)30/h4-8,14H,9-13,15-16H2,1-3H3,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 455.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71151215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).