[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C22H23FN2O6S — CID 16530525

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C22H23FN2O6S/c23-19-8-7-17(32(28,29)24-10-12-30-13-11-24)14-18(19)22(27)31-15-21(26)25-9-3-5-16-4-1-2-6-20(16)25/h1-2,4,6-8,14H,3,5,9-13,15H2
InChIKeyHDTQNNDVLOWWCK-UHFFFAOYSA-N
MW462.50 g/mol
LogP1.98
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 16530525) has the molecular formula C22H23FN2O6S and a molecular weight of 462.50 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID16530525
Molecular FormulaC22H23FN2O6S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C22H23FN2O6S/c23-19-8-7-17(32(28,29)24-10-12-30-13-11-24)14-18(19)22(27)31-15-21(26)25-9-3-5-16-4-1-2-6-20(16)25/h1-2,4,6-8,14H,3,5,9-13,15H2
InChIKeyHDTQNNDVLOWWCK-UHFFFAOYSA-N
XLogP1.98
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2352857
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2574061
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629453
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603
[2-(ethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530482
[2-(4-bromoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346749
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2372444

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 16530525) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCC(=O)N1CCCc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is HDTQNNDVLOWWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O6S/c23-19-8-7-17(32(28,29)24-10-12-30-13-11-24)14-18(19)22(27)31-15-21(26)25-9-3-5-16-4-1-2-6-20(16)25/h1-2,4,6-8,14H,3,5,9-13,15H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 462.50 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).