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

C19H23NO3S — CID 91956362

IUPAC6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)CCOCc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-16-9-10-19-18(14-16)8-5-11-20(19)24(21,22)13-12-23-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3
InChIKeyLPWSAXKCKLFWFD-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.29
Rot. Bonds6

About 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline

6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline (PubChem CID 91956362) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
PubChem CID91956362
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)CCOCc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-16-9-10-19-18(14-16)8-5-11-20(19)24(21,22)13-12-23-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3
InChIKeyLPWSAXKCKLFWFD-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1-(2-phenoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 51135938
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661427
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]-1,2-benzoxazole
CID 72719868
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
CID 51170271
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110342862
1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 22205745
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62150985
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline (CID 91956362) is 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2S(=O)(=O)CCOCc1ccccc1.
What is the InChIKey of 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline?
The InChIKey is LPWSAXKCKLFWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-16-9-10-19-18(14-16)8-5-11-20(19)24(21,22)13-12-23-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3.
What are the key properties of 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline?
6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline has a molecular weight of 345.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 91956362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).