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

C22H23N7O5S — CID 24996919

IUPACN-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)NCCO)c1
InChIInChI=1S/C22H23N7O5S/c1-29-12-19(24-13-29)35(32,33)28-21-20(26-17-5-3-4-6-18(17)27-21)25-15-9-14(10-16(11-15)34-2)22(31)23-7-8-30/h3-6,9-13,30H,7-8H2,1-2H3,(H,23,31)(H,25,26)(H,27,28)
InChIKeyBXDCZYPTTYJXBN-UHFFFAOYSA-N
MW497.54 g/mol
LogP1.64
Rot. Bonds9

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

N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (PubChem CID 24996919) has the molecular formula C22H23N7O5S and a molecular weight of 497.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
PubChem CID24996919
Molecular FormulaC22H23N7O5S
Molecular Weight497.54 g/mol
Exact Mass497.15
IUPAC NameN-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)NCCO)c1
InChIInChI=1S/C22H23N7O5S/c1-29-12-19(24-13-29)35(32,33)28-21-20(26-17-5-3-4-6-18(17)27-21)25-15-9-14(10-16(11-15)34-2)22(31)23-7-8-30/h3-6,9-13,30H,7-8H2,1-2H3,(H,23,31)(H,25,26)(H,27,28)
InChIKeyBXDCZYPTTYJXBN-UHFFFAOYSA-N
XLogP1.64
TPSA160.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 24992460
CID 24992460
CID 24992804
CID 24992804
CID 24993449
CID 24993449
CID 24994077
CID 24994077
CID 24995632
CID 24995632
CID 24996274
CID 24996274
CID 59352969
CID 59352969
CID 59352974
CID 59352974
CID 59352986
CID 59352986
CID 59352987
CID 59352987
CID 59352999
CID 59352999
CID 59353039
CID 59353039

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide (CID 24996919) is N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
The InChIKey is BXDCZYPTTYJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O5S/c1-29-12-19(24-13-29)35(32,33)28-21-20(26-17-5-3-4-6-18(17)27-21)25-15-9-14(10-16(11-15)34-2)22(31)23-7-8-30/h3-6,9-13,30H,7-8H2,1-2H3,(H,23,31)(H,25,26)(H,27,28).
What are the key properties of N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide?
N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide has a molecular weight of 497.54 g/mol, XLogP of 1.64, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide is sourced from PubChem (CID 24996919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).