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

C23H25N7O5S — CID 24994376

IUPACN-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)N(C)CCO)c1
InChIInChI=1S/C23H25N7O5S/c1-29-13-20(24-14-29)36(33,34)28-22-21(26-18-6-4-5-7-19(18)27-22)25-16-10-15(11-17(12-16)35-3)23(32)30(2)8-9-31/h4-7,10-14,31H,8-9H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyJGXBWZLYWODXRL-UHFFFAOYSA-N
MW511.56 g/mol
LogP1.98
Rot. Bonds9

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

N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (PubChem CID 24994376) has the molecular formula C23H25N7O5S and a molecular weight of 511.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
PubChem CID24994376
Molecular FormulaC23H25N7O5S
Molecular Weight511.56 g/mol
Exact Mass511.16
IUPAC NameN-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)N(C)CCO)c1
InChIInChI=1S/C23H25N7O5S/c1-29-13-20(24-14-29)36(33,34)28-22-21(26-18-6-4-5-7-19(18)27-22)25-16-10-15(11-17(12-16)35-3)23(32)30(2)8-9-31/h4-7,10-14,31H,8-9H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyJGXBWZLYWODXRL-UHFFFAOYSA-N
XLogP1.98
TPSA151.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (CID 24994376) is N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methoxy-N-methyl-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)CCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The InChIKey is JGXBWZLYWODXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O5S/c1-29-13-20(24-14-29)36(33,34)28-22-21(26-18-6-4-5-7-19(18)27-22)25-16-10-15(11-17(12-16)35-3)23(32)30(2)8-9-31/h4-7,10-14,31H,8-9H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide has a molecular weight of 511.56 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide is sourced from PubChem (CID 24994376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).