[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone

C25H21NO4S — CID 18559754

IUPAC[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone
SMILESCOc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C25H21NO4S/c1-16-9-10-18(13-17(16)2)24(27)22-15-26-23-12-11-19(30-3)14-21(23)25(22)31(28,29)20-7-5-4-6-8-20/h4-15H,1-3H3
InChIKeyLJBDFQFRBORIPW-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.92
Rot. Bonds5

About [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone

[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 18559754) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone
PubChem CID18559754
Molecular FormulaC25H21NO4S
Molecular Weight431.51 g/mol
Exact Mass431.12
IUPAC Name[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone
SMILESCOc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C25H21NO4S/c1-16-9-10-18(13-17(16)2)24(27)22-15-26-23-12-11-19(30-3)14-21(23)25(22)31(28,29)20-7-5-4-6-8-20/h4-15H,1-3H3
InChIKeyLJBDFQFRBORIPW-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
[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
CID 2137534
(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone
CID 2138245
[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2151438
[4-(3,4-dimethylphenyl)sulfonyl-6,7-dimethoxyquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882692
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475
[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882685
[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2138360
[6-chloro-4-(4-ethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2150597
9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
CID 11417730
4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
CID 91895097

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone (CID 18559754) is [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone is COc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is LJBDFQFRBORIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4S/c1-16-9-10-18(13-17(16)2)24(27)22-15-26-23-12-11-19(30-3)14-21(23)25(22)31(28,29)20-7-5-4-6-8-20/h4-15H,1-3H3.
What are the key properties of [4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone?
[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)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-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 18559754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).