2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide

C21H18FN3O2 — CID 22522681

IUPAC2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCc1ccccc1
InChIInChI=1S/C21H18FN3O2/c22-16-8-9-17-19(13-16)25(21(27)18-7-4-12-24(17)18)14-20(26)23-11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H,23,26)
InChIKeyLZCCRLDTBSMJLC-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.75
Rot. Bonds5

About 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide

2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide (PubChem CID 22522681) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
PubChem CID22522681
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCc1ccccc1
InChIInChI=1S/C21H18FN3O2/c22-16-8-9-17-19(13-16)25(21(27)18-7-4-12-24(17)18)14-20(26)23-11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H,23,26)
InChIKeyLZCCRLDTBSMJLC-UHFFFAOYSA-N
XLogP2.75
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide (CID 22522681) is 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCc1ccccc1.
What is the InChIKey of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LZCCRLDTBSMJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-16-8-9-17-19(13-16)25(21(27)18-7-4-12-24(17)18)14-20(26)23-11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H,23,26).
What are the key properties of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide?
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 363.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 22522681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).