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

C23H23FN4O — CID 46357499

IUPAC7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C23H23FN4O/c1-16-5-2-3-6-18(16)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)20-9-8-17(24)15-19(20)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29)
InChIKeyVDXWFXXDHNOODV-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.87
Rot. Bonds1

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

7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357499) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID46357499
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C23H23FN4O/c1-16-5-2-3-6-18(16)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)20-9-8-17(24)15-19(20)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29)
InChIKeyVDXWFXXDHNOODV-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

Analyze 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580713
N-(3,4-dimethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580698
7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580715
N-(2,4-difluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580635
N-[(2S)-butan-2-yl]-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 92752337
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511
ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
CID 53008765
N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030200
7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357526
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260
(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
CID 53025862
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357499) is 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is Cc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is VDXWFXXDHNOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-5-2-3-6-18(16)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)20-9-8-17(24)15-19(20)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29).
What are the key properties of 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
7-fluoro-N-(2-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 7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).