ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

C19H23N3O4S — CID 13134021

IUPACethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(S(=O)(=O)N(CC)CC)cc3c2c1C
InChIInChI=1S/C19H23N3O4S/c1-5-22(6-2)27(24,25)13-8-9-15-14(10-13)17-12(4)18(19(23)26-7-3)20-11-16(17)21-15/h8-11,21H,5-7H2,1-4H3
InChIKeyMYNWLQGOXJQJPH-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.23
Rot. Bonds6

About ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13134021) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13134021
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Nameethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(S(=O)(=O)N(CC)CC)cc3c2c1C
InChIInChI=1S/C19H23N3O4S/c1-5-22(6-2)27(24,25)13-8-9-15-14(10-13)17-12(4)18(19(23)26-7-3)20-11-16(17)21-15/h8-11,21H,5-7H2,1-4H3
InChIKeyMYNWLQGOXJQJPH-UHFFFAOYSA-N
XLogP3.23
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134017
ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13371564
ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13133996
ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134028
6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039425
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
ethyl 4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795664
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138870
ethyl 6-[bis(prop-2-enyl)carbamoyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54510265
ethyl 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392802
ethyl 8-[methyl(pyridin-3-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605641

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13134021) is ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(S(=O)(=O)N(CC)CC)cc3c2c1C.
What is the InChIKey of ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is MYNWLQGOXJQJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-5-22(6-2)27(24,25)13-8-9-15-14(10-13)17-12(4)18(19(23)26-7-3)20-11-16(17)21-15/h8-11,21H,5-7H2,1-4H3.
What are the key properties of ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13134021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).