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

C20H18FN3O2 — CID 53025862

IUPAC(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H18FN3O2/c21-14-5-6-16-15(13-14)22-20(18-4-1-9-24(16)18)7-10-23(11-8-20)19(25)17-3-2-12-26-17/h1-6,9,12-13,22H,7-8,10-11H2
InChIKeyMNWPREDHGSTSBG-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.77
Rot. Bonds1

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

(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone (PubChem CID 53025862) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
PubChem CID53025862
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C20H18FN3O2/c21-14-5-6-16-15(13-14)22-20(18-4-1-9-24(16)18)7-10-23(11-8-20)19(25)17-3-2-12-26-17/h1-6,9,12-13,22H,7-8,10-11H2
InChIKeyMNWPREDHGSTSBG-UHFFFAOYSA-N
XLogP3.77
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025856
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
CID 110212601
CID 110212601
(4-ethoxyphenyl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025874
N-(2-ethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580713
7-fluoro-N-(oxolan-2-ylmethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357526
ethyl 2-[(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
CID 53008765
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058091
(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836
1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025753

Frequently Asked Questions

What is the IUPAC name of (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
The IUPAC name of (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone (CID 53025862) is (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
The canonical SMILES for (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
The InChIKey is MNWPREDHGSTSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-14-5-6-16-15(13-14)22-20(18-4-1-9-24(16)18)7-10-23(11-8-20)19(25)17-3-2-12-26-17/h1-6,9,12-13,22H,7-8,10-11H2.
What are the key properties of (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone?
(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone has a molecular weight of 351.38 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 53025862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).