(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone

C25H21NO4S — CID 2138245

IUPAC(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H21NO4S/c1-16-4-11-20(12-5-16)31(28,29)25-21-14-17(2)6-13-23(21)26-15-22(25)24(27)18-7-9-19(30-3)10-8-18/h4-15H,1-3H3
InChIKeyKQJVDGOHZHFIKS-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.92
Rot. Bonds5

About (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone

(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone (PubChem CID 2138245) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone
PubChem CID2138245
Molecular FormulaC25H21NO4S
Molecular Weight431.51 g/mol
Exact Mass431.12
IUPAC Name(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H21NO4S/c1-16-4-11-20(12-5-16)31(28,29)25-21-14-17(2)6-13-23(21)26-15-22(25)24(27)18-7-9-19(30-3)10-8-18/h4-15H,1-3H3
InChIKeyKQJVDGOHZHFIKS-UHFFFAOYSA-N
XLogP4.92
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
CID 2137538
[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882685
[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
CID 2137534
[4-(3,4-dimethylphenyl)sulfonyl-6,7-dimethoxyquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882692
[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone
CID 18559754
[6-chloro-4-(4-ethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2150597
[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2138360
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2151438
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 146080934

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone (CID 2138245) is (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone is COc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone?
The InChIKey is KQJVDGOHZHFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4S/c1-16-4-11-20(12-5-16)31(28,29)25-21-14-17(2)6-13-23(21)26-15-22(25)24(27)18-7-9-19(30-3)10-8-18/h4-15H,1-3H3.
What are the key properties of (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone?
(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone has a molecular weight of 431.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone is sourced from PubChem (CID 2138245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).