2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C24H27N5O5S — CID 3927332

IUPAC2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1nc2ccccc2nc1N1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N5O5S/c30-22(25-18-7-9-19(10-8-18)35(31,32)29-11-3-4-12-29)17-34-24-23(28-13-15-33-16-14-28)26-20-5-1-2-6-21(20)27-24/h1-2,5-10H,3-4,11-17H2,(H,25,30)
InChIKeyGBOKDVKSGOBQNM-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.27
Rot. Bonds7

About 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3927332) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID3927332
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1nc2ccccc2nc1N1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N5O5S/c30-22(25-18-7-9-19(10-8-18)35(31,32)29-11-3-4-12-29)17-34-24-23(28-13-15-33-16-14-28)26-20-5-1-2-6-21(20)27-24/h1-2,5-10H,3-4,11-17H2,(H,25,30)
InChIKeyGBOKDVKSGOBQNM-UHFFFAOYSA-N
XLogP2.27
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 3927332) is 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(COc1nc2ccccc2nc1N1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is GBOKDVKSGOBQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c30-22(25-18-7-9-19(10-8-18)35(31,32)29-11-3-4-12-29)17-34-24-23(28-13-15-33-16-14-28)26-20-5-1-2-6-21(20)27-24/h1-2,5-10H,3-4,11-17H2,(H,25,30).
What are the key properties of 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 497.58 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3927332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).