[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C22H18FN5O2 — CID 22912965

IUPAC[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C22H18FN5O2/c23-14-7-8-16-17(11-14)27(22(29)26-9-3-4-10-26)12-18-20(24-13-28(16)18)21-25-15-5-1-2-6-19(15)30-21/h1-2,5-8,11,13H,3-4,9-10,12H2
InChIKeyPGRMIIKVKUMXQL-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.36
Rot. Bonds1

About [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 22912965) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID22912965
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C22H18FN5O2/c23-14-7-8-16-17(11-14)27(22(29)26-9-3-4-10-26)12-18-20(24-13-28(16)18)21-25-15-5-1-2-6-19(15)30-21/h1-2,5-8,11,13H,3-4,9-10,12H2
InChIKeyPGRMIIKVKUMXQL-UHFFFAOYSA-N
XLogP4.36
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 22912965) is [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccc(F)cc21.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PGRMIIKVKUMXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-14-7-8-16-17(11-14)27(22(29)26-9-3-4-10-26)12-18-20(24-13-28(16)18)21-25-15-5-1-2-6-19(15)30-21/h1-2,5-8,11,13H,3-4,9-10,12H2.
What are the key properties of [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 403.42 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22912965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).