3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one

C18H16ClNO4S — CID 20874610

IUPAC3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C18H16ClNO4S/c1-3-20-11-17(25(22,23)14-7-4-12(19)5-8-14)18(21)15-10-13(24-2)6-9-16(15)20/h4-11H,3H2,1-2H3
InChIKeyRHFLJFKLJIZOOM-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.52
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one

3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one (PubChem CID 20874610) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one
PubChem CID20874610
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C18H16ClNO4S/c1-3-20-11-17(25(22,23)14-7-4-12(19)5-8-14)18(21)15-10-13(24-2)6-9-16(15)20/h4-11H,3H2,1-2H3
InChIKeyRHFLJFKLJIZOOM-UHFFFAOYSA-N
XLogP3.52
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one (CID 20874610) is 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one is CCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one?
The InChIKey is RHFLJFKLJIZOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-3-20-11-17(25(22,23)14-7-4-12(19)5-8-14)18(21)15-10-13(24-2)6-9-16(15)20/h4-11H,3H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one?
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one has a molecular weight of 377.85 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-methoxyquinolin-4-one is sourced from PubChem (CID 20874610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).