2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline

C18H21NS — CID 79319370

IUPAC2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCSc1ccccc1
InChIInChI=1S/C18H21NS/c1-15-11-12-16-7-5-6-10-18(16)19(15)13-14-20-17-8-3-2-4-9-17/h2-10,15H,11-14H2,1H3
InChIKeyLFKWRBOAVUQUJG-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.62
Rot. Bonds4

About 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline

2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline (PubChem CID 79319370) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
PubChem CID79319370
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCSc1ccccc1
InChIInChI=1S/C18H21NS/c1-15-11-12-16-7-5-6-10-18(16)19(15)13-14-20-17-8-3-2-4-9-17/h2-10,15H,11-14H2,1H3
InChIKeyLFKWRBOAVUQUJG-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline (CID 79319370) is 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1CCSc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is LFKWRBOAVUQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-15-11-12-16-7-5-6-10-18(16)19(15)13-14-20-17-8-3-2-4-9-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline?
2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 283.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 79319370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).