N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide

C21H23N5O3S — CID 68702543

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12
InChIInChI=1S/C21H23N5O3S/c1-24(2)11-12-25(3)30(28,29)16-9-10-18-17(13-16)23-21(27)19-14-22-20(26(18)19)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)
InChIKeyOUZLWZZUWSFUPC-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide

N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide (PubChem CID 68702543) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide
PubChem CID68702543
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12
InChIInChI=1S/C21H23N5O3S/c1-24(2)11-12-25(3)30(28,29)16-9-10-18-17(13-16)23-21(27)19-14-22-20(26(18)19)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)
InChIKeyOUZLWZZUWSFUPC-UHFFFAOYSA-N
XLogP2.02
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide (CID 68702543) is N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide is CN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide?
The InChIKey is OUZLWZZUWSFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-24(2)11-12-25(3)30(28,29)16-9-10-18-17(13-16)23-21(27)19-14-22-20(26(18)19)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide?
N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide has a molecular weight of 425.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-sulfonamide is sourced from PubChem (CID 68702543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).