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

C21H20N4O — CID 10665138

IUPAC(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21
InChIInChI=1S/C21H20N4O/c26-21(23-12-6-7-13-23)24-14-19-20(16-8-2-1-3-9-16)22-15-25(19)18-11-5-4-10-17(18)24/h1-5,8-11,15H,6-7,12-14H2
InChIKeyPWKRRGLRPVTOBG-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.08
Rot. Bonds1

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

(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 10665138) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID10665138
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21
InChIInChI=1S/C21H20N4O/c26-21(23-12-6-7-13-23)24-14-19-20(16-8-2-1-3-9-16)22-15-25(19)18-11-5-4-10-17(18)24/h1-5,8-11,15H,6-7,12-14H2
InChIKeyPWKRRGLRPVTOBG-UHFFFAOYSA-N
XLogP4.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5329410
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CID 5329411
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CID 22063896
CID 22063896
CID 22063936
CID 22063936
CID 23581392
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CID 23581397
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CID 23647078

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone (CID 10665138) is (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21.
What is the InChIKey of (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is PWKRRGLRPVTOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(23-12-6-7-13-23)24-14-19-20(16-8-2-1-3-9-16)22-15-25(19)18-11-5-4-10-17(18)24/h1-5,8-11,15H,6-7,12-14H2.
What are the key properties of (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone?
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10665138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).