6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one

C21H23NO3S — CID 18559393

IUPAC6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(CC)ccc21
InChIInChI=1S/C21H23NO3S/c1-4-12-22-14-20(26(24,25)17-9-6-15(3)7-10-17)21(23)18-13-16(5-2)8-11-19(18)22/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyBVPSEOOKHHFQJT-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.12
Rot. Bonds5

About 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one

6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one (PubChem CID 18559393) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
PubChem CID18559393
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(CC)ccc21
InChIInChI=1S/C21H23NO3S/c1-4-12-22-14-20(26(24,25)17-9-6-15(3)7-10-17)21(23)18-13-16(5-2)8-11-19(18)22/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyBVPSEOOKHHFQJT-UHFFFAOYSA-N
XLogP4.12
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
The IUPAC name of 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one (CID 18559393) is 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one.
What is the SMILES notation for 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
The canonical SMILES for 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one is CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(CC)ccc21.
What is the InChIKey of 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
The InChIKey is BVPSEOOKHHFQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-4-12-22-14-20(26(24,25)17-9-6-15(3)7-10-17)21(23)18-13-16(5-2)8-11-19(18)22/h6-11,13-14H,4-5,12H2,1-3H3.
What are the key properties of 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one has a molecular weight of 369.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one is sourced from PubChem (CID 18559393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).