N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine

C25H24N2O3S — CID 18590209

IUPACN-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1
InChIInChI=1S/C25H24N2O3S/c1-3-30-20-11-14-23-22(15-20)25(27-16-19-7-5-4-6-8-19)24(17-26-23)31(28,29)21-12-9-18(2)10-13-21/h4-15,17H,3,16H2,1-2H3,(H,26,27)
InChIKeyNIHMLHMAEZOELG-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.39
Rot. Bonds7

About N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine

N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine (PubChem CID 18590209) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
PubChem CID18590209
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1
InChIInChI=1S/C25H24N2O3S/c1-3-30-20-11-14-23-22(15-20)25(27-16-19-7-5-4-6-8-19)24(17-26-23)31(28,29)21-12-9-18(2)10-13-21/h4-15,17H,3,16H2,1-2H3,(H,26,27)
InChIKeyNIHMLHMAEZOELG-UHFFFAOYSA-N
XLogP5.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
CID 18560452
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
6-fluoro-N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590831
3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560475
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 146080934
3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560146
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560130
3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine
CID 7184675
N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22306767
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carbonitrile
CID 50768558
3-(benzenesulfonyl)-N-benzyl-6-methylquinolin-1-ium-4-amine
CID 7184583

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The IUPAC name of N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine (CID 18590209) is N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine.
What is the SMILES notation for N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The canonical SMILES for N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine is CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
The InChIKey is NIHMLHMAEZOELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-30-20-11-14-23-22(15-20)25(27-16-19-7-5-4-6-8-19)24(17-26-23)31(28,29)21-12-9-18(2)10-13-21/h4-15,17H,3,16H2,1-2H3,(H,26,27).
What are the key properties of N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine?
N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine has a molecular weight of 432.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine is sourced from PubChem (CID 18590209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).