propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate

C23H29N3O6S — CID 123951850

IUPACpropan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(=O)N1c2ccc(-c3cccc(S(=O)(=O)NCCO)c3)cc2N(C(=O)OC(C)C)CC1C
InChIInChI=1S/C23H29N3O6S/c1-15(2)32-23(29)25-14-16(3)26(17(4)28)21-9-8-19(13-22(21)25)18-6-5-7-20(12-18)33(30,31)24-10-11-27/h5-9,12-13,15-16,24,27H,10-11,14H2,1-4H3
InChIKeyMRJZOJOZFJTDGE-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.73
Rot. Bonds6

About propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate

propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 123951850) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID123951850
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Namepropan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(=O)N1c2ccc(-c3cccc(S(=O)(=O)NCCO)c3)cc2N(C(=O)OC(C)C)CC1C
InChIInChI=1S/C23H29N3O6S/c1-15(2)32-23(29)25-14-16(3)26(17(4)28)21-9-8-19(13-22(21)25)18-6-5-7-20(12-18)33(30,31)24-10-11-27/h5-9,12-13,15-16,24,27H,10-11,14H2,1-4H3
InChIKeyMRJZOJOZFJTDGE-UHFFFAOYSA-N
XLogP2.73
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl (3S)-4-acetyl-3-methyl-7-(3-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118317955
propan-2-yl 4-acetyl-7-(3-cyclopropylsulfonylphenyl)-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123823782
ethyl 4-acetyl-7-(3-ethylsulfonylphenyl)-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123514612
propan-2-yl 4-acetyl-7-[3-fluoro-4-(methanesulfonamido)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123203633
propan-2-yl (3S)-4-acetyl-7-[4-(2-aminoethylsulfonyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118317800
propan-2-yl 4-acetyl-7-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123389159
4-[(2S)-1-acetyl-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-6-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 146340607
propan-2-yl (3S)-4-acetyl-7-[1-(1-hydroxy-2-methylpropan-2-yl)-5-methylpyrrol-3-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 144846765
propan-2-yl 4-acetyl-7-[4-(dimethylsulfamoyl)-3-methylphenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123796013
propan-2-yl (3S)-4-acetyl-3-methyl-7-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118317776
cyclohexyl (3S)-4-acetyl-3-methyl-7-(3-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118081048
propan-2-yl (3S)-4-acetyl-6-amino-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118079199

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate (CID 123951850) is propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate is CC(=O)N1c2ccc(-c3cccc(S(=O)(=O)NCCO)c3)cc2N(C(=O)OC(C)C)CC1C.
What is the InChIKey of propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is MRJZOJOZFJTDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-15(2)32-23(29)25-14-16(3)26(17(4)28)21-9-8-19(13-22(21)25)18-6-5-7-20(12-18)33(30,31)24-10-11-27/h5-9,12-13,15-16,24,27H,10-11,14H2,1-4H3.
What are the key properties of propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate?
propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-acetyl-7-[3-(2-hydroxyethylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 123951850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).