[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C20H17BrN4O2 — CID 20877051

IUPAC[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1
InChIInChI=1S/C20H17BrN4O2/c21-14-5-6-16-15(13-14)22-19(17-3-1-7-25(16)17)23-8-10-24(11-9-23)20(26)18-4-2-12-27-18/h1-7,12-13H,8-11H2
InChIKeyOFUWRONRMIUHBD-UHFFFAOYSA-N
MW425.29 g/mol
LogP3.81
Rot. Bonds2

About [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 20877051) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID20877051
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1
InChIInChI=1S/C20H17BrN4O2/c21-14-5-6-16-15(13-14)22-19(17-3-1-7-25(16)17)23-8-10-24(11-9-23)20(26)18-4-2-12-27-18/h1-7,12-13H,8-11H2
InChIKeyOFUWRONRMIUHBD-UHFFFAOYSA-N
XLogP3.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 20877051) is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1.
What is the InChIKey of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OFUWRONRMIUHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c21-14-5-6-16-15(13-14)22-19(17-3-1-7-25(16)17)23-8-10-24(11-9-23)20(26)18-4-2-12-27-18/h1-7,12-13H,8-11H2.
What are the key properties of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 425.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 20877051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).