1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline

C22H23NO2S — CID 71911437

IUPAC1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2ccccc2c1CN1CCCc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C22H23NO2S/c1-16-9-10-17-6-3-4-8-20(17)21(16)15-23-13-5-7-18-14-19(26(2,24)25)11-12-22(18)23/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3
InChIKeyOZOYJFMSHGJRBD-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.50
Rot. Bonds3

About 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline

1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 71911437) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID71911437
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2ccccc2c1CN1CCCc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C22H23NO2S/c1-16-9-10-17-6-3-4-8-20(17)21(16)15-23-13-5-7-18-14-19(26(2,24)25)11-12-22(18)23/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3
InChIKeyOZOYJFMSHGJRBD-UHFFFAOYSA-N
XLogP4.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylsulfonyl-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinoline
CID 71844826
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
(E)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 55661641
methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate
CID 71844842
(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60530096
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
5-(4-methylphenyl)-3-[(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 55663040
2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71911434
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-methylsulfonylbenzamide
CID 51123507
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 71911437) is 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline is Cc1ccc2ccccc2c1CN1CCCc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is OZOYJFMSHGJRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-16-9-10-17-6-3-4-8-20(17)21(16)15-23-13-5-7-18-14-19(26(2,24)25)11-12-22(18)23/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3.
What are the key properties of 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline?
1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 365.50 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylnaphthalen-1-yl)methyl]-6-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 71911437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).