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

C19H19FN2O2S — CID 133368696

IUPAC6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
SMILESCc1cc(NCc2ccccc2CS(C)(=O)=O)c2cc(F)ccc2n1
InChIInChI=1S/C19H19FN2O2S/c1-13-9-19(17-10-16(20)7-8-18(17)22-13)21-11-14-5-3-4-6-15(14)12-25(2,23)24/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyRUWCHCSBIGMJPD-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.84
Rot. Bonds5

About 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine

6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine (PubChem CID 133368696) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
PubChem CID133368696
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
SMILESCc1cc(NCc2ccccc2CS(C)(=O)=O)c2cc(F)ccc2n1
InChIInChI=1S/C19H19FN2O2S/c1-13-9-19(17-10-16(20)7-8-18(17)22-13)21-11-14-5-3-4-6-15(14)12-25(2,23)24/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyRUWCHCSBIGMJPD-UHFFFAOYSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]benzonitrile
CID 133368259
2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233279
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031822
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 103697091
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388853
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine (CID 133368696) is 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine is Cc1cc(NCc2ccccc2CS(C)(=O)=O)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
The InChIKey is RUWCHCSBIGMJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-13-9-19(17-10-16(20)7-8-18(17)22-13)21-11-14-5-3-4-6-15(14)12-25(2,23)24/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine?
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine has a molecular weight of 358.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 133368696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).