4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine

C17H24N2S — CID 105159278

IUPAC4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccnc2ccccc12
InChIInChI=1S/C17H24N2S/c1-3-10-18-15(9-12-20-2)13-14-8-11-19-17-7-5-4-6-16(14)17/h4-8,11,15,18H,3,9-10,12-13H2,1-2H3
InChIKeyQIIZPZRHUMUTIY-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.90
Rot. Bonds8

About 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine

4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine (PubChem CID 105159278) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
PubChem CID105159278
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccnc2ccccc12
InChIInChI=1S/C17H24N2S/c1-3-10-18-15(9-12-20-2)13-14-8-11-19-17-7-5-4-6-16(14)17/h4-8,11,15,18H,3,9-10,12-13H2,1-2H3
InChIKeyQIIZPZRHUMUTIY-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
CID 79093124
3-ethyl-N-propyl-1-quinolin-4-ylpentan-2-amine
CID 104997448
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
N-propan-2-yl-1-quinolin-4-ylhexan-2-amine
CID 79412792
N,4-dimethyl-1-quinolin-4-ylhexan-2-amine
CID 104997356
N-propyl-1-quinolin-5-ylhexan-3-amine
CID 81221861
1-(2-bromo-3-fluorophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105172057
4-(2-ethylbutyl)quinoline
CID 143495355
4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine
CID 105159304
1-(2-methylquinolin-4-yl)-N-propylbutan-2-amine
CID 55162398
5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 79954929

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine?
The IUPAC name of 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine (CID 105159278) is 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine is CCCNC(CCSC)Cc1ccnc2ccccc12.
What is the InChIKey of 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine?
The InChIKey is QIIZPZRHUMUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-10-18-15(9-12-20-2)13-14-8-11-19-17-7-5-4-6-16(14)17/h4-8,11,15,18H,3,9-10,12-13H2,1-2H3.
What are the key properties of 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine?
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine is sourced from PubChem (CID 105159278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).