N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide

C21H18FN3O2 — CID 45106483

IUPACN-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide
SMILESO=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccccc1
InChIInChI=1S/C21H18FN3O2/c22-16-8-9-17-19(13-16)25(21(27)18-7-4-11-24(17)18)12-10-20(26)23-14-15-5-2-1-3-6-15/h1-9,11,13H,10,12,14H2,(H,23,26)
InChIKeyPUVAMOITTGZQPE-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide

N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide (PubChem CID 45106483) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide
PubChem CID45106483
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide
SMILESO=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccccc1
InChIInChI=1S/C21H18FN3O2/c22-16-8-9-17-19(13-16)25(21(27)18-7-4-11-24(17)18)12-10-20(26)23-14-15-5-2-1-3-6-15/h1-9,11,13H,10,12,14H2,(H,23,26)
InChIKeyPUVAMOITTGZQPE-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide?
The IUPAC name of N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide (CID 45106483) is N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide?
The canonical SMILES for N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide is O=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide?
The InChIKey is PUVAMOITTGZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-16-8-9-17-19(13-16)25(21(27)18-7-4-11-24(17)18)12-10-20(26)23-14-15-5-2-1-3-6-15/h1-9,11,13H,10,12,14H2,(H,23,26).
What are the key properties of N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide?
N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide has a molecular weight of 363.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)propanamide is sourced from PubChem (CID 45106483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).