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

C15H20N2O3S — CID 71996177

IUPAC2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
SMILESCc1cc(NCCOCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C15H20N2O3S/c1-12-11-15(13-5-3-4-6-14(13)17-12)16-7-8-20-9-10-21(2,18)19/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyFVMJABJCQDOFLL-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.02
Rot. Bonds7

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

2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine (PubChem CID 71996177) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
PubChem CID71996177
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
SMILESCc1cc(NCCOCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C15H20N2O3S/c1-12-11-15(13-5-3-4-6-14(13)17-12)16-7-8-20-9-10-21(2,18)19/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyFVMJABJCQDOFLL-UHFFFAOYSA-N
XLogP2.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
CID 75430530
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine (CID 71996177) is 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine is Cc1cc(NCCOCCS(C)(=O)=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine?
The InChIKey is FVMJABJCQDOFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-11-15(13-5-3-4-6-14(13)17-12)16-7-8-20-9-10-21(2,18)19/h3-6,11H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine?
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine has a molecular weight of 308.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine is sourced from PubChem (CID 71996177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).