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

C25H26N6O4S — CID 24996270

IUPACN-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(CN2CCOCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C25H26N6O4S/c1-34-19-9-8-18(17-31-11-13-35-14-12-31)23(15-19)29-24-25(28-22-7-3-2-6-21(22)27-24)30-36(32,33)20-5-4-10-26-16-20/h2-10,15-16H,11-14,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyHAYAONBEQHJLFJ-UHFFFAOYSA-N
MW506.59 g/mol
LogP3.41
Rot. Bonds8

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

N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide (PubChem CID 24996270) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
PubChem CID24996270
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC NameN-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(CN2CCOCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C25H26N6O4S/c1-34-19-9-8-18(17-31-11-13-35-14-12-31)23(15-19)29-24-25(28-22-7-3-2-6-21(22)27-24)30-36(32,33)20-5-4-10-26-16-20/h2-10,15-16H,11-14,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyHAYAONBEQHJLFJ-UHFFFAOYSA-N
XLogP3.41
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide (CID 24996270) is N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide is COc1ccc(CN2CCOCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
The InChIKey is HAYAONBEQHJLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-34-19-9-8-18(17-31-11-13-35-14-12-31)23(15-19)29-24-25(28-22-7-3-2-6-21(22)27-24)30-36(32,33)20-5-4-10-26-16-20/h2-10,15-16H,11-14,17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide?
N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide has a molecular weight of 506.59 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-(morpholin-4-ylmethyl)anilino]quinoxalin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 24996270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).