6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one

C18H17NO5S — CID 18559299

IUPAC6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
SMILESCOc1ccc(S(=O)(=O)c2cn(C)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C18H17NO5S/c1-19-11-17(18(20)15-10-13(24-3)6-9-16(15)19)25(21,22)14-7-4-12(23-2)5-8-14/h4-11H,1-3H3
InChIKeyBBGXDBGMLIYRDX-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.39
Rot. Bonds4

About 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one

6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one (PubChem CID 18559299) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
PubChem CID18559299
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
SMILESCOc1ccc(S(=O)(=O)c2cn(C)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C18H17NO5S/c1-19-11-17(18(20)15-10-13(24-3)6-9-16(15)19)25(21,22)14-7-4-12(23-2)5-8-14/h4-11H,1-3H3
InChIKeyBBGXDBGMLIYRDX-UHFFFAOYSA-N
XLogP2.39
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one (CID 18559299) is 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one is COc1ccc(S(=O)(=O)c2cn(C)c3ccc(OC)cc3c2=O)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one?
The InChIKey is BBGXDBGMLIYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-19-11-17(18(20)15-10-13(24-3)6-9-16(15)19)25(21,22)14-7-4-12(23-2)5-8-14/h4-11H,1-3H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one?
6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one has a molecular weight of 359.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one is sourced from PubChem (CID 18559299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).