6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline

C21H21NO2S — CID 71844826

IUPAC6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cccc2ccccc12
InChIInChI=1S/C21H21NO2S/c1-25(23,24)19-11-12-21-17(14-19)9-5-13-22(21)15-18-8-4-7-16-6-2-3-10-20(16)18/h2-4,6-8,10-12,14H,5,9,13,15H2,1H3
InChIKeySNCSXZQMOKLXBN-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.20
Rot. Bonds3

About 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline

6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 71844826) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID71844826
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cccc2ccccc12
InChIInChI=1S/C21H21NO2S/c1-25(23,24)19-11-12-21-17(14-19)9-5-13-22(21)15-18-8-4-7-16-6-2-3-10-20(16)18/h2-4,6-8,10-12,14H,5,9,13,15H2,1H3
InChIKeySNCSXZQMOKLXBN-UHFFFAOYSA-N
XLogP4.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline (CID 71844826) is 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline is CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cccc2ccccc12.
What is the InChIKey of 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is SNCSXZQMOKLXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-25(23,24)19-11-12-21-17(14-19)9-5-13-22(21)15-18-8-4-7-16-6-2-3-10-20(16)18/h2-4,6-8,10-12,14H,5,9,13,15H2,1H3.
What are the key properties of 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline?
6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 351.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 71844826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).