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

C19H18ClNO4S — CID 20874614

IUPAC3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H18ClNO4S/c1-3-10-21-12-18(26(23,24)15-7-4-13(20)5-8-15)19(22)16-11-14(25-2)6-9-17(16)21/h4-9,11-12H,3,10H2,1-2H3
InChIKeyZZUQGOZJKXPMCZ-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.91
Rot. Bonds5

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

3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one (PubChem CID 20874614) has the molecular formula C19H18ClNO4S and a molecular weight of 391.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one
PubChem CID20874614
Molecular FormulaC19H18ClNO4S
Molecular Weight391.88 g/mol
Exact Mass391.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H18ClNO4S/c1-3-10-21-12-18(26(23,24)15-7-4-13(20)5-8-15)19(22)16-11-14(25-2)6-9-17(16)21/h4-9,11-12H,3,10H2,1-2H3
InChIKeyZZUQGOZJKXPMCZ-UHFFFAOYSA-N
XLogP3.91
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.91
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-6-methoxy-1-propylquinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one (CID 20874614) is 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one is CCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one?
The InChIKey is ZZUQGOZJKXPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4S/c1-3-10-21-12-18(26(23,24)15-7-4-13(20)5-8-15)19(22)16-11-14(25-2)6-9-17(16)21/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one?
3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one has a molecular weight of 391.88 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-methoxy-1-propylquinolin-4-one is sourced from PubChem (CID 20874614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).