3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide

C22H23N7O4S — CID 24996274

IUPAC3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C22H23N7O4S/c1-28(2)22(30)14-9-15(11-16(10-14)33-4)24-20-21(26-18-8-6-5-7-17(18)25-20)27-34(31,32)19-12-29(3)13-23-19/h5-13H,1-4H3,(H,24,25)(H,26,27)
InChIKeyBJYRAIKOYNAMJE-UHFFFAOYSA-N
MW481.54 g/mol
LogP2.62
Rot. Bonds7

About 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide

3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (PubChem CID 24996274) has the molecular formula C22H23N7O4S and a molecular weight of 481.54 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
PubChem CID24996274
Molecular FormulaC22H23N7O4S
Molecular Weight481.54 g/mol
Exact Mass481.15
IUPAC Name3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C22H23N7O4S/c1-28(2)22(30)14-9-15(11-16(10-14)33-4)24-20-21(26-18-8-6-5-7-17(18)25-20)27-34(31,32)19-12-29(3)13-23-19/h5-13H,1-4H3,(H,24,25)(H,26,27)
InChIKeyBJYRAIKOYNAMJE-UHFFFAOYSA-N
XLogP2.62
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The IUPAC name of 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (CID 24996274) is 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The canonical SMILES for 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)N(C)C)c1.
What is the InChIKey of 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The InChIKey is BJYRAIKOYNAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4S/c1-28(2)22(30)14-9-15(11-16(10-14)33-4)24-20-21(26-18-8-6-5-7-17(18)25-20)27-34(31,32)19-12-29(3)13-23-19/h5-13H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide has a molecular weight of 481.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide is sourced from PubChem (CID 24996274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).