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

C19H20N2O3S — CID 133388547

IUPAC8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
SMILESCc1cccc2c(NCCOc3ccc(S(C)(=O)=O)cc3)ccnc12
InChIInChI=1S/C19H20N2O3S/c1-14-4-3-5-17-18(10-11-21-19(14)17)20-12-13-24-15-6-8-16(9-7-15)25(2,22)23/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyGAFVDHWRZSIQFH-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.44
Rot. Bonds6

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

8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine (PubChem CID 133388547) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
PubChem CID133388547
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
SMILESCc1cccc2c(NCCOc3ccc(S(C)(=O)=O)cc3)ccnc12
InChIInChI=1S/C19H20N2O3S/c1-14-4-3-5-17-18(10-11-21-19(14)17)20-12-13-24-15-6-8-16(9-7-15)25(2,22)23/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyGAFVDHWRZSIQFH-UHFFFAOYSA-N
XLogP3.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-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

8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
CID 133394536
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699
N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 133388801
N-[2-(4-methylphenoxy)ethyl]-3-methylsulfonyl-2-nitroaniline
CID 133393045
N-[2-(4-methylsulfonylphenoxy)ethyl]quinoxalin-2-amine
CID 56781418
5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
CID 133319936
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775
N-[2-(4-bromophenoxy)ethyl]-3-methylsulfonyl-2-nitroaniline
CID 133393784

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine?
The IUPAC name of 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine (CID 133388547) is 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine.
What is the SMILES notation for 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine?
The canonical SMILES for 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine is Cc1cccc2c(NCCOc3ccc(S(C)(=O)=O)cc3)ccnc12.
What is the InChIKey of 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine?
The InChIKey is GAFVDHWRZSIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14-4-3-5-17-18(10-11-21-19(14)17)20-12-13-24-15-6-8-16(9-7-15)25(2,22)23/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine?
8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine has a molecular weight of 356.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine is sourced from PubChem (CID 133388547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).