4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide

C24H24BrN3O2 — CID 50757024

IUPAC4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCCCc1ccccc1
InChIInChI=1S/C24H24BrN3O2/c25-19-12-13-20-22(17-19)28(24(30)21-10-5-15-27(20)21)16-6-11-23(29)26-14-4-9-18-7-2-1-3-8-18/h1-3,5,7-8,10,12-13,15,17H,4,6,9,11,14,16H2,(H,26,29)
InChIKeyGBZHCGMHHIIZOX-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.55
Rot. Bonds8

About 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide

4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide (PubChem CID 50757024) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
PubChem CID50757024
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCCCc1ccccc1
InChIInChI=1S/C24H24BrN3O2/c25-19-12-13-20-22(17-19)28(24(30)21-10-5-15-27(20)21)16-6-11-23(29)26-14-4-9-18-7-2-1-3-8-18/h1-3,5,7-8,10,12-13,15,17H,4,6,9,11,14,16H2,(H,26,29)
InChIKeyGBZHCGMHHIIZOX-UHFFFAOYSA-N
XLogP4.55
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
7-bromo-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 50756999
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
CID 46272917
N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272868
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
CID 22522681
N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522604
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522632
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522650
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
CID 46272812

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide?
The IUPAC name of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide (CID 50757024) is 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide is O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCCCc1ccccc1.
What is the InChIKey of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide?
The InChIKey is GBZHCGMHHIIZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c25-19-12-13-20-22(17-19)28(24(30)21-10-5-15-27(20)21)16-6-11-23(29)26-14-4-9-18-7-2-1-3-8-18/h1-3,5,7-8,10,12-13,15,17H,4,6,9,11,14,16H2,(H,26,29).
What are the key properties of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide?
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide has a molecular weight of 466.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 50757024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).