8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine

C19H20N2O2S — CID 133394536

IUPAC8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
SMILESCc1cccc2c(NCCc3ccc(S(C)(=O)=O)cc3)ccnc12
InChIInChI=1S/C19H20N2O2S/c1-14-4-3-5-17-18(11-13-21-19(14)17)20-12-10-15-6-8-16(9-7-15)24(2,22)23/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)
InChIKeyWVFQOMLSLBGEDH-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.60
Rot. Bonds5

About 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine

8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine (PubChem CID 133394536) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
PubChem CID133394536
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
SMILESCc1cccc2c(NCCc3ccc(S(C)(=O)=O)cc3)ccnc12
InChIInChI=1S/C19H20N2O2S/c1-14-4-3-5-17-18(11-13-21-19(14)17)20-12-10-15-6-8-16(9-7-15)24(2,22)23/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)
InChIKeyWVFQOMLSLBGEDH-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
CID 133388547
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 133388801
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394287
N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394459
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-5-nitropyridin-2-amine
CID 71996114
8-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]quinolin-4-amine
CID 166198008
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine?
The IUPAC name of 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine (CID 133394536) is 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine?
The canonical SMILES for 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine is Cc1cccc2c(NCCc3ccc(S(C)(=O)=O)cc3)ccnc12.
What is the InChIKey of 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine?
The InChIKey is WVFQOMLSLBGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-4-3-5-17-18(11-13-21-19(14)17)20-12-10-15-6-8-16(9-7-15)24(2,22)23/h3-9,11,13H,10,12H2,1-2H3,(H,20,21).
What are the key properties of 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine?
8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133394536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).