N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide

C46H45N11O10S2 — CID 91539041

IUPACN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)CN(c2nc3ccccc3nc2Nc2cc(OC)cc(C(=O)N3CCOCC3)c2)S(=O)(=O)c2cccnc2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C46H45N11O10S2/c1-64-34-24-30(45(58)55-14-18-66-19-15-55)22-32(26-34)48-41-42(51-38-10-4-3-9-37(38)50-41)54-68(60,61)29-57(69(62,63)36-8-7-13-47-28-36)44-43(52-39-11-5-6-12-40(39)53-44)49-33-23-31(25-35(27-33)65-2)46(59)56-16-20-67-21-17-56/h3-13,22-28H,14-21,29H2,1-2H3,(H,48,50)(H,49,52)(H,51,54)
InChIKeyMGDRVNYNTDOZKF-UHFFFAOYSA-N
MW976.07 g/mol
LogP5.01
Rot. Bonds15

About N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide

N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide (PubChem CID 91539041) has the molecular formula C46H45N11O10S2 and a molecular weight of 976.07 g/mol. Its IUPAC name is N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide
PubChem CID91539041
Molecular FormulaC46H45N11O10S2
Molecular Weight976.07 g/mol
Exact Mass975.28
IUPAC NameN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)CN(c2nc3ccccc3nc2Nc2cc(OC)cc(C(=O)N3CCOCC3)c2)S(=O)(=O)c2cccnc2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C46H45N11O10S2/c1-64-34-24-30(45(58)55-14-18-66-19-15-55)22-32(26-34)48-41-42(51-38-10-4-3-9-37(38)50-41)54-68(60,61)29-57(69(62,63)36-8-7-13-47-28-36)44-43(52-39-11-5-6-12-40(39)53-44)49-33-23-31(25-35(27-33)65-2)46(59)56-16-20-67-21-17-56/h3-13,22-28H,14-21,29H2,1-2H3,(H,48,50)(H,49,52)(H,51,54)
InChIKeyMGDRVNYNTDOZKF-UHFFFAOYSA-N
XLogP5.01
TPSA249.60 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.07
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

3-methoxy-N,N-dimethyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
CID 24996274
N-(2-hydroxyethyl)-3-methoxy-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
CID 24996919
3-methoxy-N-(2-methoxyethyl)-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
CID 59352974
N-[3-[3-methoxy-5-(4-methylpiperazine-1-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
CID 24992463
N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
CID 24992794
N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide
CID 24992795
N-(2-hydroxyethyl)-3-methoxy-N-methyl-5-[[3-[(1-methylimidazol-4-yl)sulfonylamino]quinoxalin-2-yl]amino]benzamide
CID 24994376
3-[[7-[5-(Benzenesulfonamido)-3-pyridinyl]quinoxalin-2-yl]amino]-5-methoxybenzoic acid
CID 57843356
3-[[3-(2-iodo-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 68258417
3-[[3-(2-iodo-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide
CID 68340174
N-[3-[[3-[3-(hydroxymethyl)-5-methoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]-3-methylpyridine-2-carboxamide
CID 70907027
3-[[3-(2-amino-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 89803712

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide (CID 91539041) is N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)CN(c2nc3ccccc3nc2Nc2cc(OC)cc(C(=O)N3CCOCC3)c2)S(=O)(=O)c2cccnc2)cc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide?
The InChIKey is MGDRVNYNTDOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45N11O10S2/c1-64-34-24-30(45(58)55-14-18-66-19-15-55)22-32(26-34)48-41-42(51-38-10-4-3-9-37(38)50-41)54-68(60,61)29-57(69(62,63)36-8-7-13-47-28-36)44-43(52-39-11-5-6-12-40(39)53-44)49-33-23-31(25-35(27-33)65-2)46(59)56-16-20-67-21-17-56/h3-13,22-28H,14-21,29H2,1-2H3,(H,48,50)(H,49,52)(H,51,54).
What are the key properties of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide?
N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide has a molecular weight of 976.07 g/mol, XLogP of 5.01, 15 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]-N-[[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]sulfamoylmethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91539041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).