2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide

C18H20N2OS — CID 46657943

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2OS/c1-22-16-10-8-15(9-11-16)19-18(21)13-20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,19,21)
InChIKeyDDACQMGCQXQHFT-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.80
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 46657943) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID46657943
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2OS/c1-22-16-10-8-15(9-11-16)19-18(21)13-20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,19,21)
InChIKeyDDACQMGCQXQHFT-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087425
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46643384
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide (CID 46657943) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)CN2CCCc3ccccc32)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is DDACQMGCQXQHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-22-16-10-8-15(9-11-16)19-18(21)13-20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,19,21).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 46657943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).