tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C18H22N4O3 — CID 10545247

IUPACtert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccccc21
InChIInChI=1S/C18H22N4O3/c1-18(2,3)25-16(23)15-14-10-21(17(24)20(4)5)12-8-6-7-9-13(12)22(14)11-19-15/h6-9,11H,10H2,1-5H3
InChIKeyWILXONULCIPALE-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.83
Rot. Bonds1

About tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 10545247) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID10545247
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nametert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccccc21
InChIInChI=1S/C18H22N4O3/c1-18(2,3)25-16(23)15-14-10-21(17(24)20(4)5)12-8-6-7-9-13(12)22(14)11-19-15/h6-9,11H,10H2,1-5H3
InChIKeyWILXONULCIPALE-UHFFFAOYSA-N
XLogP2.83
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 8-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10365897
t-butyl 5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 398203
tert-butyl 8-(dimethylamino)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10808192
Tert-butyl 10-oxo-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
CID 44378382
tert-butyl 7-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 71521315
tert-butyl 5-acetyl-7-fluoro-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 127045358
U 93631
CID 197626
ditert-butyl 4H-imidazo[1,5-a]quinoxaline-3,5-dicarboxylate
CID 9976485
tert-butyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10448284
tert-butyl 7-chloro-5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10499798
tert-butyl 5-(piperidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10571969
tert-butyl 5-(morpholine-4-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10810056

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 10545247) is tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is CN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccccc21.
What is the InChIKey of tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is WILXONULCIPALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(2,3)25-16(23)15-14-10-21(17(24)20(4)5)12-8-6-7-9-13(12)22(14)11-19-15/h6-9,11H,10H2,1-5H3.
What are the key properties of tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 10545247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).