methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate

C25H23N3O4S — CID 86718142

IUPACmethyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1
InChIInChI=1S/C25H23N3O4S/c1-16(2)33(30,31)28-20-12-9-18(10-13-20)24-23(17-7-5-4-6-8-17)26-21-14-11-19(25(29)32-3)15-22(21)27-24/h4-16,28H,1-3H3
InChIKeyAGXSFSGMHKNCQH-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.90
Rot. Bonds6

About methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate

methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate (PubChem CID 86718142) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
PubChem CID86718142
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Namemethyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1
InChIInChI=1S/C25H23N3O4S/c1-16(2)33(30,31)28-20-12-9-18(10-13-20)24-23(17-7-5-4-6-8-17)26-21-14-11-19(25(29)32-3)15-22(21)27-24/h4-16,28H,1-3H3
InChIKeyAGXSFSGMHKNCQH-UHFFFAOYSA-N
XLogP4.90
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
methyl phenazine-2-carboxylate
CID 617185
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
CID 67041739
methyl 3-(4-methylsulfonylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67042359
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23832000
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23888111
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate (CID 86718142) is methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1.
What is the InChIKey of methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate?
The InChIKey is AGXSFSGMHKNCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-16(2)33(30,31)28-20-12-9-18(10-13-20)24-23(17-7-5-4-6-8-17)26-21-14-11-19(25(29)32-3)15-22(21)27-24/h4-16,28H,1-3H3.
What are the key properties of methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate?
methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate has a molecular weight of 461.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate is sourced from PubChem (CID 86718142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).