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

C25H24N6O5S — CID 24992794

IUPACN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C25H24N6O5S/c1-35-19-14-17(25(32)31-9-11-36-12-10-31)13-18(15-19)27-23-24(29-22-7-3-2-6-21(22)28-23)30-37(33,34)20-5-4-8-26-16-20/h2-8,13-16H,9-12H2,1H3,(H,27,28)(H,29,30)
InChIKeyDZZXHYNOXNKGSE-UHFFFAOYSA-N
MW520.57 g/mol
LogP3.05
Rot. Bonds7

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

N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide (PubChem CID 24992794) has the molecular formula C25H24N6O5S and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
PubChem CID24992794
Molecular FormulaC25H24N6O5S
Molecular Weight520.57 g/mol
Exact Mass520.15
IUPAC NameN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C25H24N6O5S/c1-35-19-14-17(25(32)31-9-11-36-12-10-31)13-18(15-19)27-23-24(29-22-7-3-2-6-21(22)28-23)30-37(33,34)20-5-4-8-26-16-20/h2-8,13-16H,9-12H2,1H3,(H,27,28)(H,29,30)
InChIKeyDZZXHYNOXNKGSE-UHFFFAOYSA-N
XLogP3.05
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide (CID 24992794) is N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide is COc1cc(Nc2nc3ccccc3nc2NS(=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]pyridine-3-sulfonamide?
The InChIKey is DZZXHYNOXNKGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O5S/c1-35-19-14-17(25(32)31-9-11-36-12-10-31)13-18(15-19)27-23-24(29-22-7-3-2-6-21(22)28-23)30-37(33,34)20-5-4-8-26-16-20/h2-8,13-16H,9-12H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide has a molecular weight of 520.57 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 24992794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).