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

C23H22BrN3O3 — CID 46272917

IUPAC4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)cc1
InChIInChI=1S/C23H22BrN3O3/c1-2-30-18-10-8-17(9-11-18)25-22(28)6-4-14-27-21-15-16(24)7-12-19(21)26-13-3-5-20(26)23(27)29/h3,5,7-13,15H,2,4,6,14H2,1H3,(H,25,28)
InChIKeyCPMGEJSMBONVDL-UHFFFAOYSA-N
MW468.35 g/mol
LogP4.83
Rot. Bonds7

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

4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide (PubChem CID 46272917) has the molecular formula C23H22BrN3O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
PubChem CID46272917
Molecular FormulaC23H22BrN3O3
Molecular Weight468.35 g/mol
Exact Mass467.08
IUPAC Name4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)cc1
InChIInChI=1S/C23H22BrN3O3/c1-2-30-18-10-8-17(9-11-18)25-22(28)6-4-14-27-21-15-16(24)7-12-19(21)26-13-3-5-20(26)23(27)29/h3,5,7-13,15H,2,4,6,14H2,1H3,(H,25,28)
InChIKeyCPMGEJSMBONVDL-UHFFFAOYSA-N
XLogP4.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806
7-bromo-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 50756999
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272842
N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 92872070
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(4-ethoxyphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 24535994
ethyl 3-[4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanoylamino]benzoate
CID 22553519
N-(3-ethylphenyl)-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide
CID 22553546
N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522541
N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700746
N-(3-acetylphenyl)-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide
CID 22553540

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide (CID 46272917) is 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide is CCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)cc1.
What is the InChIKey of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide?
The InChIKey is CPMGEJSMBONVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O3/c1-2-30-18-10-8-17(9-11-18)25-22(28)6-4-14-27-21-15-16(24)7-12-19(21)26-13-3-5-20(26)23(27)29/h3,5,7-13,15H,2,4,6,14H2,1H3,(H,25,28).
What are the key properties of 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide?
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide has a molecular weight of 468.35 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 46272917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).