N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C24H25FN4O — CID 22580695

IUPACN-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1
InChIInChI=1S/C24H25FN4O/c1-2-17-5-8-19(9-6-17)26-23(30)28-14-11-24(12-15-28)22-4-3-13-29(22)21-10-7-18(25)16-20(21)27-24/h3-10,13,16,27H,2,11-12,14-15H2,1H3,(H,26,30)
InChIKeyATVCEXWBFVIFKX-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.13
Rot. Bonds2

About N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 22580695) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID22580695
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1
InChIInChI=1S/C24H25FN4O/c1-2-17-5-8-19(9-6-17)26-23(30)28-14-11-24(12-15-28)22-4-3-13-29(22)21-10-7-18(25)16-20(21)27-24/h3-10,13,16,27H,2,11-12,14-15H2,1H3,(H,26,30)
InChIKeyATVCEXWBFVIFKX-UHFFFAOYSA-N
XLogP5.13
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 22580695) is N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is CCc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is ATVCEXWBFVIFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-2-17-5-8-19(9-6-17)26-23(30)28-14-11-24(12-15-28)22-4-3-13-29(22)21-10-7-18(25)16-20(21)27-24/h3-10,13,16,27H,2,11-12,14-15H2,1H3,(H,26,30).
What are the key properties of N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 22580695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).