ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate

C20H23FN4O3 — CID 53008765

IUPACethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H23FN4O3/c1-2-28-18(26)13-22-19(27)24-10-7-20(8-11-24)17-4-3-9-25(17)16-6-5-14(21)12-15(16)23-20/h3-6,9,12,23H,2,7-8,10-11,13H2,1H3,(H,22,27)
InChIKeyXPLUTHCDOASLBI-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.61
Rot. Bonds3

About ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate

ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate (PubChem CID 53008765) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
PubChem CID53008765
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nameethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H23FN4O3/c1-2-28-18(26)13-22-19(27)24-10-7-20(8-11-24)17-4-3-9-25(17)16-6-5-14(21)12-15(16)23-20/h3-6,9,12,23H,2,7-8,10-11,13H2,1H3,(H,22,27)
InChIKeyXPLUTHCDOASLBI-UHFFFAOYSA-N
XLogP2.61
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate (CID 53008765) is ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
The InChIKey is XPLUTHCDOASLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-2-28-18(26)13-22-19(27)24-10-7-20(8-11-24)17-4-3-9-25(17)16-6-5-14(21)12-15(16)23-20/h3-6,9,12,23H,2,7-8,10-11,13H2,1H3,(H,22,27).
What are the key properties of ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate has a molecular weight of 386.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate is sourced from PubChem (CID 53008765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).