3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine

C24H23N2O3S+ — CID 7184675

IUPAC3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine
SMILESCOc1ccc2[nH+]cc(S(=O)(=O)c3ccccc3)c(NCc3ccc(C)cc3)c2c1
InChIInChI=1S/C24H22N2O3S/c1-17-8-10-18(11-9-17)15-26-24-21-14-19(29-2)12-13-22(21)25-16-23(24)30(27,28)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,25,26)/p+1
InChIKeyKAGMYSWSSKXSEA-UHFFFAOYSA-O
MW419.53 g/mol
LogP4.42
Rot. Bonds6

About 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine

3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine (PubChem CID 7184675) has the molecular formula C24H23N2O3S+ and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine
PubChem CID7184675
Molecular FormulaC24H23N2O3S+
Molecular Weight419.53 g/mol
Exact Mass419.14
IUPAC Name3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine
SMILESCOc1ccc2[nH+]cc(S(=O)(=O)c3ccccc3)c(NCc3ccc(C)cc3)c2c1
InChIInChI=1S/C24H22N2O3S/c1-17-8-10-18(11-9-17)15-26-24-21-14-19(29-2)12-13-22(21)25-16-23(24)30(27,28)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,25,26)/p+1
InChIKeyKAGMYSWSSKXSEA-UHFFFAOYSA-O
XLogP4.42
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N-benzyl-6-methylquinolin-1-ium-4-amine
CID 7184583
4-[6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]morpholine
CID 2144810
N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
CID 18560452
N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590209
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
3-(benzenesulfonyl)-6-methoxy-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium
CID 7470603
3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium
CID 7184485
6-methoxy-3-(4-methylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium
CID 2150538
ethyl 4-(benzylamino)-6-methylquinolin-1-ium-3-carboxylate
CID 6929397
3-(4-chlorophenyl)sulfonyl-6-methoxy-4-pyrrolidin-1-ylquinolin-1-ium
CID 2151510
6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 53073226
4-(4-benzylpiperazin-1-yl)-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium
CID 2140996

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine (CID 7184675) is 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine is COc1ccc2[nH+]cc(S(=O)(=O)c3ccccc3)c(NCc3ccc(C)cc3)c2c1.
What is the InChIKey of 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine?
The InChIKey is KAGMYSWSSKXSEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H22N2O3S/c1-17-8-10-18(11-9-17)15-26-24-21-14-19(29-2)12-13-22(21)25-16-23(24)30(27,28)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,25,26)/p+1.
What are the key properties of 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine?
3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine has a molecular weight of 419.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine is sourced from PubChem (CID 7184675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).