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

C23H21BrN4O2 — CID 46259534

IUPAC[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C23H21BrN4O2/c1-30-18-7-4-16(5-8-18)23(29)27-13-11-26(12-14-27)22-21-3-2-10-28(21)20-9-6-17(24)15-19(20)25-22/h2-10,15H,11-14H2,1H3
InChIKeyWKVVYVGAGPOCNN-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.22
Rot. Bonds3

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

[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 46259534) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID46259534
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C23H21BrN4O2/c1-30-18-7-4-16(5-8-18)23(29)27-13-11-26(12-14-27)22-21-3-2-10-28(21)20-9-6-17(24)15-19(20)25-22/h2-10,15H,11-14H2,1H3
InChIKeyWKVVYVGAGPOCNN-UHFFFAOYSA-N
XLogP4.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.22
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-ethoxyphenyl)methanone
CID 46259548
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 46259536
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 20877051
methyl 2-[[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carbonyl]amino]benzoate
CID 50805289
7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 19978049
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 50805291
7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 19978066
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 50805283
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 50805060
[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079530
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
CID 50805348
N-(3-bromophenyl)-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
CID 50805257

Frequently Asked Questions

What is the IUPAC name of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 46259534) is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1.
What is the InChIKey of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is WKVVYVGAGPOCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c1-30-18-7-4-16(5-8-18)23(29)27-13-11-26(12-14-27)22-21-3-2-10-28(21)20-9-6-17(24)15-19(20)25-22/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 465.35 g/mol, XLogP of 4.22, 3 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]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 46259534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).