[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C21H19FN4O — CID 10570627

IUPAC[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C21H19FN4O/c22-16-9-7-15(8-10-16)20-19-13-25(21(27)24-11-3-4-12-24)17-5-1-2-6-18(17)26(19)14-23-20/h1-2,5-10,14H,3-4,11-13H2
InChIKeyIWGXMWZWZDDGAL-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.21
Rot. Bonds1

About [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10570627) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID10570627
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C21H19FN4O/c22-16-9-7-15(8-10-16)20-19-13-25(21(27)24-11-3-4-12-24)17-5-1-2-6-18(17)26(19)14-23-20/h1-2,5-10,14H,3-4,11-13H2
InChIKeyIWGXMWZWZDDGAL-UHFFFAOYSA-N
XLogP4.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 10570627) is [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21.
What is the InChIKey of [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IWGXMWZWZDDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-16-9-7-15(8-10-16)20-19-13-25(21(27)24-11-3-4-12-24)17-5-1-2-6-18(17)26(19)14-23-20/h1-2,5-10,14H,3-4,11-13H2.
What are the key properties of [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.41 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10570627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).