(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone

C22H20FN3O — CID 53025806

IUPAC(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C22H20FN3O/c23-17-7-2-1-6-16(17)21(27)25-14-11-22(12-15-25)20-10-5-13-26(20)19-9-4-3-8-18(19)24-22/h1-10,13,24H,11-12,14-15H2
InChIKeyMRSWMJJRWGRCSI-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.17
Rot. Bonds1

About (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone

(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone (PubChem CID 53025806) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
PubChem CID53025806
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C22H20FN3O/c23-17-7-2-1-6-16(17)21(27)25-14-11-22(12-15-25)20-10-5-13-26(20)19-9-4-3-8-18(19)24-22/h1-10,13,24H,11-12,14-15H2
InChIKeyMRSWMJJRWGRCSI-UHFFFAOYSA-N
XLogP4.17
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752
(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836
1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005048
(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058091
N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030200
CID 95794161
CID 95794161
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357472
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-[3-(tetrazol-1-yl)phenyl]methanone
CID 16672195
N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357458
(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
CID 53025862

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone (CID 53025806) is (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone is O=C(c1ccccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone?
The InChIKey is MRSWMJJRWGRCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-17-7-2-1-6-16(17)21(27)25-14-11-22(12-15-25)20-10-5-13-26(20)19-9-4-3-8-18(19)24-22/h1-10,13,24H,11-12,14-15H2.
What are the key properties of (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone?
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone has a molecular weight of 361.42 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 53025806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).