[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C20H17BrN4OS — CID 46259536

IUPAC[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1
InChIInChI=1S/C20H17BrN4OS/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
InChIKeyZZQHSAFIFKLOHN-UHFFFAOYSA-N
MW441.35 g/mol
LogP4.27
Rot. Bonds2

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

[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46259536) has the molecular formula C20H17BrN4OS and a molecular weight of 441.35 g/mol. Its IUPAC name is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID46259536
Molecular FormulaC20H17BrN4OS
Molecular Weight441.35 g/mol
Exact Mass440.03
IUPAC Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1
InChIInChI=1S/C20H17BrN4OS/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
InChIKeyZZQHSAFIFKLOHN-UHFFFAOYSA-N
XLogP4.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 46259534
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 46259548
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 50805222
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 50805266
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 50805150
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide
CID 50805027
N-(3-bromophenyl)-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
CID 50805257
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 46259650
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-methyl-1,4-diazepane-1-carboxamide
CID 50805320

Frequently Asked Questions

What is the IUPAC name of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 46259536) is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1.
What is the InChIKey of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ZZQHSAFIFKLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4OS/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]-thiophen-2-ylmethanone?
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 441.35 g/mol, XLogP of 4.27, 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]-thiophen-2-ylmethanone is sourced from PubChem (CID 46259536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).