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

C24H23BrN4O2 — CID 46259548

IUPAC[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C24H23BrN4O2/c1-2-31-19-8-5-17(6-9-19)24(30)28-14-12-27(13-15-28)23-22-4-3-11-29(22)21-10-7-18(25)16-20(21)26-23/h3-11,16H,2,12-15H2,1H3
InChIKeyHCBLCWIEEOOTFN-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.61
Rot. Bonds4

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

[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 46259548) has the molecular formula C24H23BrN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID46259548
Molecular FormulaC24H23BrN4O2
Molecular Weight479.38 g/mol
Exact Mass478.10
IUPAC Name[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C24H23BrN4O2/c1-2-31-19-8-5-17(6-9-19)24(30)28-14-12-27(13-15-28)23-22-4-3-11-29(22)21-10-7-18(25)16-20(21)26-23/h3-11,16H,2,12-15H2,1H3
InChIKeyHCBLCWIEEOOTFN-UHFFFAOYSA-N
XLogP4.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.61
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]-thiophen-2-ylmethanone
CID 46259536
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 20877051
N-(4-ethoxyphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
CID 50805256
methyl 2-[[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carbonyl]amino]benzoate
CID 50805289
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
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-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 19978049
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
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]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (CID 46259548) is [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(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-ethoxyphenyl)methanone?
The InChIKey is HCBLCWIEEOOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O2/c1-2-31-19-8-5-17(6-9-19)24(30)28-14-12-27(13-15-28)23-22-4-3-11-29(22)21-10-7-18(25)16-20(21)26-23/h3-11,16H,2,12-15H2,1H3.
What are the key properties of [4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 479.38 g/mol, XLogP of 4.61, 4 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-ethoxyphenyl)methanone is sourced from PubChem (CID 46259548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).