4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine

C19H18N2O3S — CID 7184158

IUPAC4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine
SMILESO=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCOCC1
InChIInChI=1S/C19H18N2O3S/c22-25(23,15-6-2-1-3-7-15)18-14-20-17-9-5-4-8-16(17)19(18)21-10-12-24-13-11-21/h1-9,14H,10-13H2
InChIKeyVTUFSMQAFZCWMK-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.90
Rot. Bonds3

About 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine

4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine (PubChem CID 7184158) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine
PubChem CID7184158
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine
SMILESO=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCOCC1
InChIInChI=1S/C19H18N2O3S/c22-25(23,15-6-2-1-3-7-15)18-14-20-17-9-5-4-8-16(17)19(18)21-10-12-24-13-11-21/h1-9,14H,10-13H2
InChIKeyVTUFSMQAFZCWMK-UHFFFAOYSA-N
XLogP2.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine
CID 2150542
3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560129
3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline
CID 20882607
4-[6-ethyl-3-(4-methylphenyl)sulfonylquinolin-4-yl]morpholine
CID 20882596
3-(benzenesulfonyl)-6-ethyl-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560242
3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline
CID 20882619
4-[4-(4-piperidin-1-ylpiperidin-1-yl)piperidin-1-yl]-3-[4-(2,3,3-trimethylbutan-2-yloxy)phenyl]sulfonylquinoline
CID 156728900
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560130
4-(benzenesulfonyl)quinoline
CID 170993168
3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline
CID 164578295
ethyl 1-[3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate
CID 20882593
6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinoline
CID 18590830

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine?
The IUPAC name of 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine (CID 7184158) is 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine.
What is the SMILES notation for 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine?
The canonical SMILES for 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine is O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCOCC1.
What is the InChIKey of 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine?
The InChIKey is VTUFSMQAFZCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-25(23,15-6-2-1-3-7-15)18-14-20-17-9-5-4-8-16(17)19(18)21-10-12-24-13-11-21/h1-9,14H,10-13H2.
What are the key properties of 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine?
4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine has a molecular weight of 354.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine is sourced from PubChem (CID 7184158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).