[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C26H29N3O5S — CID 16533597

IUPAC[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)ccc1C
InChIInChI=1S/C26H29N3O5S/c1-4-29(5-2)35(32,33)23-15-18(14-13-17(23)3)27-24(30)16-34-26(31)25-19-9-6-7-11-21(19)28-22-12-8-10-20(22)25/h6-7,9,11,13-15H,4-5,8,10,12,16H2,1-3H3,(H,27,30)
InChIKeyGBYRSEUOIHYWQY-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.86
Rot. Bonds8

About [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 16533597) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID16533597
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)ccc1C
InChIInChI=1S/C26H29N3O5S/c1-4-29(5-2)35(32,33)23-15-18(14-13-17(23)3)27-24(30)16-34-26(31)25-19-9-6-7-11-21(19)28-22-12-8-10-20(22)25/h6-7,9,11,13-15H,4-5,8,10,12,16H2,1-3H3,(H,27,30)
InChIKeyGBYRSEUOIHYWQY-UHFFFAOYSA-N
XLogP3.86
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate with MolForge

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Related Compounds

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599698
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2642434
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599908
[2-(3,4-difluoroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599852
[2-(3-fluoroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599687
[2-(4-chloroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2463707
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23738398
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839820
[2-(4-chloroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335128
[2-(4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335607
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 4845160
[2-(4-ethoxyanilino)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7277152

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 16533597) is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)ccc1C.
What is the InChIKey of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is GBYRSEUOIHYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-4-29(5-2)35(32,33)23-15-18(14-13-17(23)3)27-24(30)16-34-26(31)25-19-9-6-7-11-21(19)28-22-12-8-10-20(22)25/h6-7,9,11,13-15H,4-5,8,10,12,16H2,1-3H3,(H,27,30).
What are the key properties of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 495.60 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 16533597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).