(2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

C22H24N2O6S — CID 2347982

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H24N2O6S/c25-21(23-11-13-29-14-12-23)16-30-22(26)18-6-3-8-19(15-18)31(27,28)24-10-4-7-17-5-1-2-9-20(17)24/h1-3,5-6,8-9,15H,4,7,10-14,16H2
InChIKeyGHCHATFAXMZLJW-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.84
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

(2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (PubChem CID 2347982) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
PubChem CID2347982
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H24N2O6S/c25-21(23-11-13-29-14-12-23)16-30-22(26)18-6-3-8-19(15-18)31(27,28)24-10-4-7-17-5-1-2-9-20(17)24/h1-3,5-6,8-9,15H,4,7,10-14,16H2
InChIKeyGHCHATFAXMZLJW-UHFFFAOYSA-N
XLogP1.84
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Dimethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2083980
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
methyl 1-[2-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 2115825
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 2119081
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018
[2-(2,6-diethylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2332636
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2332648
[2-(2,6-Difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338052
[2-(2,3-Dimethylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338163
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2362535
[2-(methylamino)-2-oxoethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2365514
Ethyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 2392189

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (CID 2347982) is (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is O=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The InChIKey is GHCHATFAXMZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c25-21(23-11-13-29-14-12-23)16-30-22(26)18-6-3-8-19(15-18)31(27,28)24-10-4-7-17-5-1-2-9-20(17)24/h1-3,5-6,8-9,15H,4,7,10-14,16H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate has a molecular weight of 444.51 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is sourced from PubChem (CID 2347982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).