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

C20H17BrFN3O2 — CID 53025856

IUPAC(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H17BrFN3O2/c21-18-6-5-16(27-18)19(26)24-10-7-20(8-11-24)17-2-1-9-25(17)15-4-3-13(22)12-14(15)23-20/h1-6,9,12,23H,7-8,10-11H2
InChIKeyUXGKGALEHSGOQO-UHFFFAOYSA-N
MW430.28 g/mol
LogP4.53
Rot. Bonds1

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

(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53025856) has the molecular formula C20H17BrFN3O2 and a molecular weight of 430.28 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53025856
Molecular FormulaC20H17BrFN3O2
Molecular Weight430.28 g/mol
Exact Mass429.05
IUPAC Name(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H17BrFN3O2/c21-18-6-5-16(27-18)19(26)24-10-7-20(8-11-24)17-2-1-9-25(17)15-4-3-13(22)12-14(15)23-20/h1-6,9,12,23H,7-8,10-11H2
InChIKeyUXGKGALEHSGOQO-UHFFFAOYSA-N
XLogP4.53
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
CID 53025862
1-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 53005094
cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53005085
(4-ethoxyphenyl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025874
N-[(2S)-butan-2-yl]-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 92752337
7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357526
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
(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836
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

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53025856) is (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is O=C(c1ccc(Br)o1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is UXGKGALEHSGOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3O2/c21-18-6-5-16(27-18)19(26)24-10-7-20(8-11-24)17-2-1-9-25(17)15-4-3-13(22)12-14(15)23-20/h1-6,9,12,23H,7-8,10-11H2.
What are the key properties of (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 430.28 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53025856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).