N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C23H23FN4O — CID 53030200

IUPACN-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1F
InChIInChI=1S/C23H23FN4O/c1-16-8-9-17(15-18(16)24)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)20-6-3-2-5-19(20)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29)
InChIKeyCKKDWHBKSXLRJC-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.87
Rot. Bonds1

About N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 53030200) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID53030200
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1F
InChIInChI=1S/C23H23FN4O/c1-16-8-9-17(15-18(16)24)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)20-6-3-2-5-19(20)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29)
InChIKeyCKKDWHBKSXLRJC-UHFFFAOYSA-N
XLogP4.87
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580715
N-(3,4-dimethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580698
N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752
N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357458
N-(2,4-difluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580635
N-(3-chloro-4-methylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030235
7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357499
N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357445
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239
N-(2-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580713

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 53030200) is N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is Cc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is CKKDWHBKSXLRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-8-9-17(15-18(16)24)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)20-6-3-2-5-19(20)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53030200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).