8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine

C19H20N2O2S — CID 133368699

IUPAC8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
SMILESCc1cccc2c(NCc3ccccc3CS(C)(=O)=O)ccnc12
InChIInChI=1S/C19H20N2O2S/c1-14-6-5-9-17-18(10-11-20-19(14)17)21-12-15-7-3-4-8-16(15)13-24(2,22)23/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyHUHMXESEZLGOMX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.70
Rot. Bonds5

About 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine

8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine (PubChem CID 133368699) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
PubChem CID133368699
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
SMILESCc1cccc2c(NCc3ccccc3CS(C)(=O)=O)ccnc12
InChIInChI=1S/C19H20N2O2S/c1-14-6-5-9-17-18(10-11-20-19(14)17)21-12-15-7-3-4-8-16(15)13-24(2,22)23/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyHUHMXESEZLGOMX-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 133388801
N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine
CID 133405681
8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
CID 133394536
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
CID 133388547
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine
CID 133403895
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368696
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine (CID 133368699) is 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine is Cc1cccc2c(NCc3ccccc3CS(C)(=O)=O)ccnc12.
What is the InChIKey of 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
The InChIKey is HUHMXESEZLGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-6-5-9-17-18(10-11-20-19(14)17)21-12-15-7-3-4-8-16(15)13-24(2,22)23/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.70, 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-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 133368699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).