(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

C21H25N3O5S — CID 71664347

IUPAC(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(C)CC(C)N2S(=O)(=O)c1ccc(N2C[C@H](O)CC2=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-14-12-22(2)20-11-17(29-3)6-9-19(20)24(14)30(27,28)18-7-4-15(5-8-18)23-13-16(25)10-21(23)26/h4-9,11,14,16,25H,10,12-13H2,1-3H3/t14?,16-/m1/s1
InChIKeySUNUOHOKIIRFAW-BZSJEYESSA-N
MW431.51 g/mol
LogP1.83
Rot. Bonds4

About (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (PubChem CID 71664347) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
PubChem CID71664347
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(C)CC(C)N2S(=O)(=O)c1ccc(N2C[C@H](O)CC2=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-14-12-22(2)20-11-17(29-3)6-9-19(20)24(14)30(27,28)18-7-4-15(5-8-18)23-13-16(25)10-21(23)26/h4-9,11,14,16,25H,10,12-13H2,1-3H3/t14?,16-/m1/s1
InChIKeySUNUOHOKIIRFAW-BZSJEYESSA-N
XLogP1.83
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine
CID 71664313
4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one
CID 168702287
4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168702293
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40963809
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567
1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
CID 117013938
methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 100804998
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55735049

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (CID 71664347) is (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is COc1ccc2c(c1)N(C)CC(C)N2S(=O)(=O)c1ccc(N2C[C@H](O)CC2=O)cc1.
What is the InChIKey of (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The InChIKey is SUNUOHOKIIRFAW-BZSJEYESSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-14-12-22(2)20-11-17(29-3)6-9-19(20)24(14)30(27,28)18-7-4-15(5-8-18)23-13-16(25)10-21(23)26/h4-9,11,14,16,25H,10,12-13H2,1-3H3/t14?,16-/m1/s1.
What are the key properties of (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one has a molecular weight of 431.51 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 71664347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).