cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

C20H22FN3O — CID 53005085

IUPACcyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H22FN3O/c21-15-6-7-17-16(13-15)22-20(18-5-2-10-24(17)18)8-11-23(12-9-20)19(25)14-3-1-4-14/h2,5-7,10,13-14,22H,1,3-4,8-9,11-12H2
InChIKeyDBZSSXIDOUSDTB-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.66
Rot. Bonds1

About cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53005085) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53005085
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Namecyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H22FN3O/c21-15-6-7-17-16(13-15)22-20(18-5-2-10-24(17)18)8-11-23(12-9-20)19(25)14-3-1-4-14/h2,5-7,10,13-14,22H,1,3-4,8-9,11-12H2
InChIKeyDBZSSXIDOUSDTB-UHFFFAOYSA-N
XLogP3.66
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058161
7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357526
(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
CID 53025862
(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025856
7-fluoro-N-(2-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357499
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
ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
CID 53008765
N-(2,4-difluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580635
7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005060

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53005085) is cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is O=C(C1CCC1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is DBZSSXIDOUSDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-15-6-7-17-16(13-15)22-20(18-5-2-10-24(17)18)8-11-23(12-9-20)19(25)14-3-1-4-14/h2,5-7,10,13-14,22H,1,3-4,8-9,11-12H2.
What are the key properties of cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 339.41 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53005085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).