N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide

C15H18N2OS — CID 162412946

IUPACN-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide
SMILESCSCCC(NC(C)=O)c1ccnc2ccccc12
InChIInChI=1S/C15H18N2OS/c1-11(18)17-15(8-10-19-2)13-7-9-16-14-6-4-3-5-12(13)14/h3-7,9,15H,8,10H2,1-2H3,(H,17,18)
InChIKeyJIRMDFSKHRHCGQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.17
Rot. Bonds5

About N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide

N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide (PubChem CID 162412946) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide
PubChem CID162412946
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide
SMILESCSCCC(NC(C)=O)c1ccnc2ccccc12
InChIInChI=1S/C15H18N2OS/c1-11(18)17-15(8-10-19-2)13-7-9-16-14-6-4-3-5-12(13)14/h3-7,9,15H,8,10H2,1-2H3,(H,17,18)
InChIKeyJIRMDFSKHRHCGQ-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-quinolin-4-ylpropanoic acid
CID 63868077
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
3-quinolin-4-ylpentan-2-one
CID 63196425
S-(2,3-dihydroxy-3-quinolin-4-ylpropyl) ethanethioate
CID 170822161
2-quinolin-4-ylpropanoic acid
CID 127018626
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine
CID 114985018
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
1-quinolin-4-ylpropane-1-sulfonic acid
CID 90989010
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide?
The IUPAC name of N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide (CID 162412946) is N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide.
What is the SMILES notation for N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide?
The canonical SMILES for N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide is CSCCC(NC(C)=O)c1ccnc2ccccc12.
What is the InChIKey of N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide?
The InChIKey is JIRMDFSKHRHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(18)17-15(8-10-19-2)13-7-9-16-14-6-4-3-5-12(13)14/h3-7,9,15H,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide?
N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide is sourced from PubChem (CID 162412946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).