N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide

C19H18N2O2S — CID 890011

IUPACN-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)20-18(22)12-13-24-19-11-6-14-4-2-3-5-17(14)21-19/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyRZTVCDUNPJLVNF-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.36
Rot. Bonds6

About N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide

N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide (PubChem CID 890011) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
PubChem CID890011
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)20-18(22)12-13-24-19-11-6-14-4-2-3-5-17(14)21-19/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyRZTVCDUNPJLVNF-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
Quinolinium, 1-ethyl-2-(ethylthio)-6-methoxy-, iodide (1:1)
CID 114298
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
CID 855603
N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
CID 862401
3-[(6-Methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
CID 939671
Ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanoate
CID 3168484
Acetic acid, 2-[(6-methoxy-4-methyl-2-quinolinyl)thio]-, hydrazide
CID 944480
N-[4-(pentyloxy)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide
CID 1964370
2-Ethylsulfanyl-6-methoxy-quinoline-3-carbonitrile
CID 865459
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
2-(2-Dimethylaminoethylthio)-4-methoxy-3-o-tolylquinoline hydrochloride
CID 14001273

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide (CID 890011) is N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide is COc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The InChIKey is RZTVCDUNPJLVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)20-18(22)12-13-24-19-11-6-14-4-2-3-5-17(14)21-19/h2-11H,12-13H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 890011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).