3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide

C21H21FN4O — CID 10666464

IUPAC3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccc(F)cc3)c2C1(C)C
InChIInChI=1S/C21H21FN4O/c1-21(2)19-18(14-9-11-15(22)12-10-14)23-13-25(19)16-7-5-6-8-17(16)26(21)20(27)24(3)4/h5-13H,1-4H3
InChIKeyWJKPIZGANUNBDK-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.42
Rot. Bonds1

About 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide

3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10666464) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10666464
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccc(F)cc3)c2C1(C)C
InChIInChI=1S/C21H21FN4O/c1-21(2)19-18(14-9-11-15(22)12-10-14)23-13-25(19)16-7-5-6-8-17(16)26(21)20(27)24(3)4/h5-13H,1-4H3
InChIKeyWJKPIZGANUNBDK-UHFFFAOYSA-N
XLogP4.42
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329407
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyrimidin-2-one
CID 5329411
1,3-diethyl-5-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581385
1,3-diethyl-5-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647078
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
3-(4-Fluorophenyl)-4,5-dihydro-5-[(pyrrolidino)carbonyl]imidazo[1,5-a]quinoxaline
CID 10570627
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
4-(6,7-Difluoro-1-methylbenzimidazol-2-yl)isoquinoline
CID 68053567
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11530954

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide (CID 10666464) is 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide is CN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccc(F)cc3)c2C1(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is WJKPIZGANUNBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-21(2)19-18(14-9-11-15(22)12-10-14)23-13-25(19)16-7-5-6-8-17(16)26(21)20(27)24(3)4/h5-13H,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide?
3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10666464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).