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

C21H25FN4O2 — CID 46357526

IUPAC7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C21H25FN4O2/c22-15-5-6-18-17(13-15)24-21(19-4-1-9-26(18)19)7-10-25(11-8-21)20(27)23-14-16-3-2-12-28-16/h1,4-6,9,13,16,24H,2-3,7-8,10-12,14H2,(H,23,27)
InChIKeyMXFIKFOMJPXCDG-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.22
Rot. Bonds2

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

7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357526) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID46357526
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C21H25FN4O2/c22-15-5-6-18-17(13-15)24-21(19-4-1-9-26(18)19)7-10-25(11-8-21)20(27)23-14-16-3-2-12-28-16/h1,4-6,9,13,16,24H,2-3,7-8,10-12,14H2,(H,23,27)
InChIKeyMXFIKFOMJPXCDG-UHFFFAOYSA-N
XLogP3.22
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-N-(oxolan-2-ylmethyl)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
(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025856
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95615000
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058091
(3R)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137402
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 122269488
(6S)-6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carboxamide
CID 92732895
1-(oxolan-2-ylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63126704
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
(3R)-8-(3-fluorobenzoyl)-4-(3-methylbenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137514

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357526) is 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is O=C(NCC1CCCO1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is MXFIKFOMJPXCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-15-5-6-18-17(13-15)24-21(19-4-1-9-26(18)19)7-10-25(11-8-21)20(27)23-14-16-3-2-12-28-16/h1,4-6,9,13,16,24H,2-3,7-8,10-12,14H2,(H,23,27).
What are the key properties of 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).