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

C20H21NO4S — CID 18559309

IUPAC6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C20H21NO4S/c1-4-11-21-13-19(26(23,24)16-8-5-14(2)6-9-16)20(22)17-12-15(25-3)7-10-18(17)21/h5-10,12-13H,4,11H2,1-3H3
InChIKeyWPNRSHLDAAJUAH-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.56
Rot. Bonds5

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

6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one (PubChem CID 18559309) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
PubChem CID18559309
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C20H21NO4S/c1-4-11-21-13-19(26(23,24)16-8-5-14(2)6-9-16)20(22)17-12-15(25-3)7-10-18(17)21/h5-10,12-13H,4,11H2,1-3H3
InChIKeyWPNRSHLDAAJUAH-UHFFFAOYSA-N
XLogP3.56
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
The IUPAC name of 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one (CID 18559309) is 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one.
What is the SMILES notation for 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
The canonical SMILES for 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one is CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
The InChIKey is WPNRSHLDAAJUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-4-11-21-13-19(26(23,24)16-8-5-14(2)6-9-16)20(22)17-12-15(25-3)7-10-18(17)21/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one?
6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one has a molecular weight of 371.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one is sourced from PubChem (CID 18559309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).