N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide

C27H30N6O3S — CID 24993117

IUPACN-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(CC2CCN(C)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C27H30N6O3S/c1-33-14-11-19(12-15-33)16-20-9-10-21(36-2)17-25(20)31-26-27(30-24-8-4-3-7-23(24)29-26)32-37(34,35)22-6-5-13-28-18-22/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZOTRXYONRCJLCW-UHFFFAOYSA-N
MW518.64 g/mol
LogP4.46
Rot. Bonds8

About N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide

N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide (PubChem CID 24993117) has the molecular formula C27H30N6O3S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
PubChem CID24993117
Molecular FormulaC27H30N6O3S
Molecular Weight518.64 g/mol
Exact Mass518.21
IUPAC NameN-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(CC2CCN(C)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C27H30N6O3S/c1-33-14-11-19(12-15-33)16-20-9-10-21(36-2)17-25(20)31-26-27(30-24-8-4-3-7-23(24)29-26)32-37(34,35)22-6-5-13-28-18-22/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZOTRXYONRCJLCW-UHFFFAOYSA-N
XLogP4.46
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

CID 68699737
CID 68699737
CID 68700429
CID 68700429
N-[3-[5-methoxy-2-(piperidin-4-ylmethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 59352972
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid
CID 139457094
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[methyl-(1-methylpyrrolidin-3-yl)amino]acetamide
CID 59249158
3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 57448629
3-(3-aminopiperidine-1-carbonyl)-N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448633
N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide
CID 91386046
N-[5-methoxy-2-(oxan-4-ylmethyl)phenyl]-3-(2H-pyridin-1-yl)quinoxalin-2-amine
CID 141217520
4-[[4-methoxy-2-[[3-(2H-pyridin-1-yl)quinoxalin-2-yl]amino]phenyl]methyl]cyclohexan-1-ol
CID 141217518
N-[3-[2-[(2R)-2,3-dihydroxypropyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 68701562

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide (CID 24993117) is N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide is COc1ccc(CC2CCN(C)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The InChIKey is ZOTRXYONRCJLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3S/c1-33-14-11-19(12-15-33)16-20-9-10-21(36-2)17-25(20)31-26-27(30-24-8-4-3-7-23(24)29-26)32-37(34,35)22-6-5-13-28-18-22/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide has a molecular weight of 518.64 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 24993117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).