benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate

C24H25N3O3 — CID 70814180

IUPACbenzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)OCc3ccccc3)CC1)c1cccn1-2
InChIInChI=1S/C24H25N3O3/c1-29-19-9-10-21-20(16-19)25-24(22-8-5-13-27(21)22)11-14-26(15-12-24)23(28)30-17-18-6-3-2-4-7-18/h2-10,13,16,25H,11-12,14-15,17H2,1H3
InChIKeyMZPRXOBVFQASBN-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.54
Rot. Bonds3

About benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate

benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate (PubChem CID 70814180) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate
PubChem CID70814180
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namebenzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)OCc3ccccc3)CC1)c1cccn1-2
InChIInChI=1S/C24H25N3O3/c1-29-19-9-10-21-20(16-19)25-24(22-8-5-13-27(21)22)11-14-26(15-12-24)23(28)30-17-18-6-3-2-4-7-18/h2-10,13,16,25H,11-12,14-15,17H2,1H3
InChIKeyMZPRXOBVFQASBN-UHFFFAOYSA-N
XLogP4.54
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate (CID 70814180) is benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate is COc1ccc2c(c1)NC1(CCN(C(=O)OCc3ccccc3)CC1)c1cccn1-2.
What is the InChIKey of benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate?
The InChIKey is MZPRXOBVFQASBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-19-9-10-21-20(16-19)25-24(22-8-5-13-27(21)22)11-14-26(15-12-24)23(28)30-17-18-6-3-2-4-7-18/h2-10,13,16,25H,11-12,14-15,17H2,1H3.
What are the key properties of benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate?
benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 70814180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).