4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine

C20H19ClN2O4S — CID 24783274

IUPAC4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine
SMILESCOc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(N3CCOCC3)c2c1
InChIInChI=1S/C20H19ClN2O4S/c1-26-15-5-6-18-17(12-15)20(23-7-9-27-10-8-23)19(13-22-18)28(24,25)16-4-2-3-14(21)11-16/h2-6,11-13H,7-10H2,1H3
InChIKeyIXHBNOCHZROGAE-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.57
Rot. Bonds4

About 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine

4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine (PubChem CID 24783274) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine
PubChem CID24783274
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine
SMILESCOc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(N3CCOCC3)c2c1
InChIInChI=1S/C20H19ClN2O4S/c1-26-15-5-6-18-17(12-15)20(23-7-9-27-10-8-23)19(13-22-18)28(24,25)16-4-2-3-14(21)11-16/h2-6,11-13H,7-10H2,1H3
InChIKeyIXHBNOCHZROGAE-UHFFFAOYSA-N
XLogP3.57
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine?
The IUPAC name of 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine (CID 24783274) is 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine?
The canonical SMILES for 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine is COc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(N3CCOCC3)c2c1.
What is the InChIKey of 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine?
The InChIKey is IXHBNOCHZROGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-26-15-5-6-18-17(12-15)20(23-7-9-27-10-8-23)19(13-22-18)28(24,25)16-4-2-3-14(21)11-16/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine?
4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine has a molecular weight of 418.90 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine is sourced from PubChem (CID 24783274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).