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

C23H25N7O5S — CID 59352974

IUPAC3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(OC)c1
InChIInChI=1S/C23H25N7O5S/c1-30-13-20(25-14-30)36(32,33)29-22-21(27-18-6-4-5-7-19(18)28-22)26-16-10-15(11-17(12-16)35-3)23(31)24-8-9-34-2/h4-7,10-14H,8-9H2,1-3H3,(H,24,31)(H,26,27)(H,28,29)
InChIKeyKEBLRVVPLQJZSQ-UHFFFAOYSA-N
MW511.56 g/mol
LogP2.29
Rot. Bonds10

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

3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (PubChem CID 59352974) has the molecular formula C23H25N7O5S and a molecular weight of 511.56 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
PubChem CID59352974
Molecular FormulaC23H25N7O5S
Molecular Weight511.56 g/mol
Exact Mass511.16
IUPAC Name3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(OC)c1
InChIInChI=1S/C23H25N7O5S/c1-30-13-20(25-14-30)36(32,33)29-22-21(27-18-6-4-5-7-19(18)28-22)26-16-10-15(11-17(12-16)35-3)23(31)24-8-9-34-2/h4-7,10-14H,8-9H2,1-3H3,(H,24,31)(H,26,27)(H,28,29)
InChIKeyKEBLRVVPLQJZSQ-UHFFFAOYSA-N
XLogP2.29
TPSA149.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 24992460
CID 24992460
CID 24993449
CID 24993449
CID 24996274
CID 24996274
CID 24996919
CID 24996919
CID 59352986
CID 59352986
CID 59352987
CID 59352987
CID 59353039
CID 59353039
CID 59353086
CID 59353086
CID 24992463
CID 24992463
CID 24992794
CID 24992794
CID 24992795
CID 24992795
CID 59353100
CID 59353100

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (CID 59352974) is 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide is COCCNC(=O)c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(OC)c1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The InChIKey is KEBLRVVPLQJZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O5S/c1-30-13-20(25-14-30)36(32,33)29-22-21(27-18-6-4-5-7-19(18)28-22)26-16-10-15(11-17(12-16)35-3)23(31)24-8-9-34-2/h4-7,10-14H,8-9H2,1-3H3,(H,24,31)(H,26,27)(H,28,29).
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide has a molecular weight of 511.56 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide is sourced from PubChem (CID 59352974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).