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

C21H26N4O3 — CID 71686720

IUPACethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12
InChIInChI=1S/C21H26N4O3/c1-3-28-19(26)14-22-20(27)24-11-8-21(9-12-24)18-5-4-10-25(18)17-7-6-15(2)13-16(17)23-21/h4-7,10,13,23H,3,8-9,11-12,14H2,1-2H3,(H,22,27)
InChIKeyWOSLUIOMTCALQY-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.78
Rot. Bonds3

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

ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate (PubChem CID 71686720) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
PubChem CID71686720
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nameethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12
InChIInChI=1S/C21H26N4O3/c1-3-28-19(26)14-22-20(27)24-11-8-21(9-12-24)18-5-4-10-25(18)17-7-6-15(2)13-16(17)23-21/h4-7,10,13,23H,3,8-9,11-12,14H2,1-2H3,(H,22,27)
InChIKeyWOSLUIOMTCALQY-UHFFFAOYSA-N
XLogP2.78
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate (CID 71686720) is ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12.
What is the InChIKey of ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
The InChIKey is WOSLUIOMTCALQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-28-19(26)14-22-20(27)24-11-8-21(9-12-24)18-5-4-10-25(18)17-7-6-15(2)13-16(17)23-21/h4-7,10,13,23H,3,8-9,11-12,14H2,1-2H3,(H,22,27).
What are the key properties of ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate?
ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate has a molecular weight of 382.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate is sourced from PubChem (CID 71686720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).