4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine

C19H17ClN2O3S — CID 2150542

IUPAC4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCOCC1
InChIInChI=1S/C19H17ClN2O3S/c20-14-5-7-15(8-6-14)26(23,24)18-13-21-17-4-2-1-3-16(17)19(18)22-9-11-25-12-10-22/h1-8,13H,9-12H2
InChIKeyGKWHGPIWMRTZHC-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.56
Rot. Bonds3

About 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine

4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine (PubChem CID 2150542) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine
PubChem CID2150542
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCOCC1
InChIInChI=1S/C19H17ClN2O3S/c20-14-5-7-15(8-6-14)26(23,24)18-13-21-17-4-2-1-3-16(17)19(18)22-9-11-25-12-10-22/h1-8,13H,9-12H2
InChIKeyGKWHGPIWMRTZHC-UHFFFAOYSA-N
XLogP3.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine
CID 7184158
3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline
CID 20882607
3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560129
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560130
4-[6-ethyl-3-(4-methylphenyl)sulfonylquinolin-4-yl]morpholine
CID 20882596
4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6,7-dimethoxyquinoline
CID 18559569
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
CID 16807376
4-[4-(4-piperidin-1-ylpiperidin-1-yl)piperidin-1-yl]-3-[4-(2,3,3-trimethylbutan-2-yloxy)phenyl]sulfonylquinoline
CID 156728900
8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
CID 92667670
8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
CID 18559531
4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
CID 4591823
3-(benzenesulfonyl)-6-ethyl-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560242

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine?
The IUPAC name of 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine (CID 2150542) is 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine?
The canonical SMILES for 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine is O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCOCC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine?
The InChIKey is GKWHGPIWMRTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c20-14-5-7-15(8-6-14)26(23,24)18-13-21-17-4-2-1-3-16(17)19(18)22-9-11-25-12-10-22/h1-8,13H,9-12H2.
What are the key properties of 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine?
4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine has a molecular weight of 388.88 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine is sourced from PubChem (CID 2150542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).