6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine

C17H21FN2O2S — CID 133394331

IUPAC6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
SMILESCc1cc(NC2CCCC(S(C)(=O)=O)C2)c2cc(F)ccc2n1
InChIInChI=1S/C17H21FN2O2S/c1-11-8-17(15-9-12(18)6-7-16(15)19-11)20-13-4-3-5-14(10-13)23(2,21)22/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyROQHYMVLAMUZKY-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.45
Rot. Bonds3

About 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine

6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine (PubChem CID 133394331) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
PubChem CID133394331
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
SMILESCc1cc(NC2CCCC(S(C)(=O)=O)C2)c2cc(F)ccc2n1
InChIInChI=1S/C17H21FN2O2S/c1-11-8-17(15-9-12(18)6-7-16(15)19-11)20-13-4-3-5-14(10-13)23(2,21)22/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyROQHYMVLAMUZKY-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133394333
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
2,5-difluoro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 103585711
2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133402276
1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
CID 133394062
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 133388898
2,5-dichloro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 104726787
3-chloro-N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-(1-methylsulfonylethyl)pyrazole-4-carboxamide
CID 176910766
3-chloro-N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-[(1S)-1-methylsulfonylethyl]pyrazole-4-carboxamide
CID 176910765
N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 79003256
3,5-dichloro-4-fluoro-N-(3-methylsulfonylcyclohexyl)aniline
CID 107573956

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The IUPAC name of 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine (CID 133394331) is 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine is Cc1cc(NC2CCCC(S(C)(=O)=O)C2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The InChIKey is ROQHYMVLAMUZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-11-8-17(15-9-12(18)6-7-16(15)19-11)20-13-4-3-5-14(10-13)23(2,21)22/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,20).
What are the key properties of 6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine has a molecular weight of 336.43 g/mol, XLogP of 3.45, 3 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-(3-methylsulfonylcyclohexyl)quinolin-4-amine is sourced from PubChem (CID 133394331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).