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

C21H23N5O5S — CID 24992795

IUPACN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(C)(=O)=O)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23N5O5S/c1-30-16-12-14(21(27)26-7-9-31-10-8-26)11-15(13-16)22-19-20(25-32(2,28)29)24-18-6-4-3-5-17(18)23-19/h3-6,11-13H,7-10H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXALOOYLKNATSSU-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.23
Rot. Bonds6

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

N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide (PubChem CID 24992795) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide
PubChem CID24992795
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC NameN-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(C)(=O)=O)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23N5O5S/c1-30-16-12-14(21(27)26-7-9-31-10-8-26)11-15(13-16)22-19-20(25-32(2,28)29)24-18-6-4-3-5-17(18)23-19/h3-6,11-13H,7-10H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXALOOYLKNATSSU-UHFFFAOYSA-N
XLogP2.23
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]methanesulfonamide?
The IUPAC name of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide (CID 24992795) is N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide?
The canonical SMILES for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide is COc1cc(Nc2nc3ccccc3nc2NS(C)(=O)=O)cc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide?
The InChIKey is XALOOYLKNATSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-30-16-12-14(21(27)26-7-9-31-10-8-26)11-15(13-16)22-19-20(25-32(2,28)29)24-18-6-4-3-5-17(18)23-19/h3-6,11-13H,7-10H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide?
N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide has a molecular weight of 457.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-methoxy-5-(morpholine-4-carbonyl)anilino]quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 24992795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).