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

C11H14BrNO2S — CID 83093286

IUPAC1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)CBr
InChIInChI=1S/C11H14BrNO2S/c1-9-4-5-11-10(7-9)3-2-6-13(11)16(14,15)8-12/h4-5,7H,2-3,6,8H2,1H3
InChIKeyQXFAZSYXOARSHV-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.43
Rot. Bonds2

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

1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 83093286) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID83093286
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)CBr
InChIInChI=1S/C11H14BrNO2S/c1-9-4-5-11-10(7-9)3-2-6-13(11)16(14,15)8-12/h4-5,7H,2-3,6,8H2,1H3
InChIKeyQXFAZSYXOARSHV-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-(2-phenoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 51135938
6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 91956362
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)sulfonylmethyl]-1,2-benzoxazole
CID 72719868
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
1-(3-bromo-4-methoxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 31324854
4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60724712
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline (CID 83093286) is 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2S(=O)(=O)CBr.
What is the InChIKey of 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QXFAZSYXOARSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-9-4-5-11-10(7-9)3-2-6-13(11)16(14,15)8-12/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline?
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 304.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 83093286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).