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

C17H21FN2O2S — CID 133394333

IUPAC8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
SMILESCc1cc(NC2CCCC(S(C)(=O)=O)C2)c2cccc(F)c2n1
InChIInChI=1S/C17H21FN2O2S/c1-11-9-16(14-7-4-8-15(18)17(14)19-11)20-12-5-3-6-13(10-12)23(2,21)22/h4,7-9,12-13H,3,5-6,10H2,1-2H3,(H,19,20)
InChIKeyVHKZNMXVEXRMDY-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.45
Rot. Bonds3

About 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine

8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine (PubChem CID 133394333) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
PubChem CID133394333
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
SMILESCc1cc(NC2CCCC(S(C)(=O)=O)C2)c2cccc(F)c2n1
InChIInChI=1S/C17H21FN2O2S/c1-11-9-16(14-7-4-8-15(18)17(14)19-11)20-12-5-3-6-13(10-12)23(2,21)22/h4,7-9,12-13H,3,5-6,10H2,1-2H3,(H,19,20)
InChIKeyVHKZNMXVEXRMDY-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

6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133394331
2,5-difluoro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 103585711
2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133402276
8-fluoro-2-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377639
1-[3-[(8-fluoro-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133369306
2,5-dichloro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 104726787
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
3,5-dichloro-4-fluoro-N-(3-methylsulfonylcyclohexyl)aniline
CID 107573956
2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133394132
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-8-fluoro-2-methylquinolin-4-amine
CID 133394548
4-bromo-2,3-dichloro-N-(3-methylsulfonylcyclohexyl)aniline
CID 107788960
(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107502764

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The IUPAC name of 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine (CID 133394333) is 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine.
What is the SMILES notation for 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The canonical SMILES for 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine is Cc1cc(NC2CCCC(S(C)(=O)=O)C2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The InChIKey is VHKZNMXVEXRMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-11-9-16(14-7-4-8-15(18)17(14)19-11)20-12-5-3-6-13(10-12)23(2,21)22/h4,7-9,12-13H,3,5-6,10H2,1-2H3,(H,19,20).
What are the key properties of 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
8-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 8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine is sourced from PubChem (CID 133394333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).