6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

C25H23NO4S — CID 2135081

IUPAC6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1ccccc1C
InChIInChI=1S/C25H23NO4S/c1-17-8-11-21(12-9-17)31(28,29)24-16-26(15-19-7-5-4-6-18(19)2)23-13-10-20(30-3)14-22(23)25(24)27/h4-14,16H,15H2,1-3H3
InChIKeyZWXZQOVNJUOKPF-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.51
Rot. Bonds5

About 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (PubChem CID 2135081) has the molecular formula C25H23NO4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.

Molecular Properties

Compound Name6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
PubChem CID2135081
Molecular FormulaC25H23NO4S
Molecular Weight433.53 g/mol
Exact Mass433.13
IUPAC Name6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1ccccc1C
InChIInChI=1S/C25H23NO4S/c1-17-8-11-21(12-9-17)31(28,29)24-16-26(15-19-7-5-4-6-18(19)2)23-13-10-20(30-3)14-22(23)25(24)27/h4-14,16H,15H2,1-3H3
InChIKeyZWXZQOVNJUOKPF-UHFFFAOYSA-N
XLogP4.51
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The IUPAC name of 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (CID 2135081) is 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.
What is the SMILES notation for 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The canonical SMILES for 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1ccccc1C.
What is the InChIKey of 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The InChIKey is ZWXZQOVNJUOKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4S/c1-17-8-11-21(12-9-17)31(28,29)24-16-26(15-19-7-5-4-6-18(19)2)23-13-10-20(30-3)14-22(23)25(24)27/h4-14,16H,15H2,1-3H3.
What are the key properties of 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one has a molecular weight of 433.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is sourced from PubChem (CID 2135081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).