N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

C21H21FN4O — CID 10832597

IUPACN-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCC(C)(C)NC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C21H21FN4O/c1-21(2,3)24-20(27)25-12-18-19(14-8-10-15(22)11-9-14)23-13-26(18)17-7-5-4-6-16(17)25/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyYSKPMFRUBSLJGM-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.51
Rot. Bonds1

About N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10832597) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10832597
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCC(C)(C)NC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C21H21FN4O/c1-21(2,3)24-20(27)25-12-18-19(14-8-10-15(22)11-9-14)23-13-26(18)17-7-5-4-6-16(17)25/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyYSKPMFRUBSLJGM-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10832597) is N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CC(C)(C)NC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21.
What is the InChIKey of N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is YSKPMFRUBSLJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-21(2,3)24-20(27)25-12-18-19(14-8-10-15(22)11-9-14)23-13-26(18)17-7-5-4-6-16(17)25/h4-11,13H,12H2,1-3H3,(H,24,27).
What are the key properties of N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10832597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).