N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide

C19H13BrFN3O2 — CID 22522517

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFN3O2/c20-12-7-8-14(13(21)10-12)22-18(25)11-24-16-5-2-1-4-15(16)23-9-3-6-17(23)19(24)26/h1-10H,11H2,(H,22,25)
InChIKeyAODOOPYSDXCYFG-UHFFFAOYSA-N
MW414.23 g/mol
LogP3.79
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (PubChem CID 22522517) has the molecular formula C19H13BrFN3O2 and a molecular weight of 414.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
PubChem CID22522517
Molecular FormulaC19H13BrFN3O2
Molecular Weight414.23 g/mol
Exact Mass413.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFN3O2/c20-12-7-8-14(13(21)10-12)22-18(25)11-24-16-5-2-1-4-15(16)23-9-3-6-17(23)19(24)26/h1-10H,11H2,(H,22,25)
InChIKeyAODOOPYSDXCYFG-UHFFFAOYSA-N
XLogP3.79
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (CID 22522517) is N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is O=C(Cn1c(=O)c2cccn2c2ccccc21)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The InChIKey is AODOOPYSDXCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3O2/c20-12-7-8-14(13(21)10-12)22-18(25)11-24-16-5-2-1-4-15(16)23-9-3-6-17(23)19(24)26/h1-10H,11H2,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide has a molecular weight of 414.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 22522517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).