2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine

C18H24N2O2S — CID 133402276

IUPAC2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
SMILESCCc1cc(NC2CCCC(S(C)(=O)=O)C2)c2ccccc2n1
InChIInChI=1S/C18H24N2O2S/c1-3-13-12-18(16-9-4-5-10-17(16)19-13)20-14-7-6-8-15(11-14)23(2,21)22/h4-5,9-10,12,14-15H,3,6-8,11H2,1-2H3,(H,19,20)
InChIKeyKQSSQQACJUBXFL-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.56
Rot. Bonds4

About 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine

2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine (PubChem CID 133402276) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
PubChem CID133402276
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
SMILESCCc1cc(NC2CCCC(S(C)(=O)=O)C2)c2ccccc2n1
InChIInChI=1S/C18H24N2O2S/c1-3-13-12-18(16-9-4-5-10-17(16)19-13)20-14-7-6-8-15(11-14)23(2,21)22/h4-5,9-10,12,14-15H,3,6-8,11H2,1-2H3,(H,19,20)
InChIKeyKQSSQQACJUBXFL-UHFFFAOYSA-N
XLogP3.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.56
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
8-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133394333
2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine
CID 133405160
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
2,5-difluoro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 103585711
4-bromo-2,3-dichloro-N-(3-methylsulfonylcyclohexyl)aniline
CID 107788960
2,5-dichloro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 104726787
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133402118
1-cyclopropyl-4-[(2-propylquinolin-4-yl)amino]pyrrolidin-2-one
CID 133402841
4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile
CID 133399438
(1R)-1-N-[2-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,3-diamine
CID 175434661

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The IUPAC name of 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine (CID 133402276) is 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine.
What is the SMILES notation for 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The canonical SMILES for 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine is CCc1cc(NC2CCCC(S(C)(=O)=O)C2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
The InChIKey is KQSSQQACJUBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-13-12-18(16-9-4-5-10-17(16)19-13)20-14-7-6-8-15(11-14)23(2,21)22/h4-5,9-10,12,14-15H,3,6-8,11H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine?
2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine is sourced from PubChem (CID 133402276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).