8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine

C16H22N2O3S — CID 133369312

IUPAC8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
SMILESCOc1cccc2c(NC(C)CCS(C)(=O)=O)cc(C)nc12
InChIInChI=1S/C16H22N2O3S/c1-11(8-9-22(4,19)20)17-14-10-12(2)18-16-13(14)6-5-7-15(16)21-3/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)
InChIKeyASZSQKXYZMDLAK-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.79
Rot. Bonds6

About 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine

8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine (PubChem CID 133369312) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
PubChem CID133369312
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
SMILESCOc1cccc2c(NC(C)CCS(C)(=O)=O)cc(C)nc12
InChIInChI=1S/C16H22N2O3S/c1-11(8-9-22(4,19)20)17-14-10-12(2)18-16-13(14)6-5-7-15(16)21-3/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)
InChIKeyASZSQKXYZMDLAK-UHFFFAOYSA-N
XLogP2.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005
8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine
CID 133394542
8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
CID 133388731
4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
CID 133394349
2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 167774460
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
CID 133369022

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
The IUPAC name of 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine (CID 133369312) is 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine.
What is the SMILES notation for 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
The canonical SMILES for 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine is COc1cccc2c(NC(C)CCS(C)(=O)=O)cc(C)nc12.
What is the InChIKey of 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
The InChIKey is ASZSQKXYZMDLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11(8-9-22(4,19)20)17-14-10-12(2)18-16-13(14)6-5-7-15(16)21-3/h5-7,10-11H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine has a molecular weight of 322.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine is sourced from PubChem (CID 133369312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).