6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine

C10H13BrN2O2S — CID 82490254

IUPAC6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine
SMILESCS(=O)(=O)N1CCCc2cc(Br)cc(N)c21
InChIInChI=1S/C10H13BrN2O2S/c1-16(14,15)13-4-2-3-7-5-8(11)6-9(12)10(7)13/h5-6H,2-4,12H2,1H3
InChIKeyYPYSKUHSIROEHP-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.74
Rot. Bonds1

About 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine

6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine (PubChem CID 82490254) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine.

Molecular Properties

Compound Name6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine
PubChem CID82490254
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine
SMILESCS(=O)(=O)N1CCCc2cc(Br)cc(N)c21
InChIInChI=1S/C10H13BrN2O2S/c1-16(14,15)13-4-2-3-7-5-8(11)6-9(12)10(7)13/h5-6H,2-4,12H2,1H3
InChIKeyYPYSKUHSIROEHP-UHFFFAOYSA-N
XLogP1.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide
CID 21161176
8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 127336057
4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide
CID 86783705
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 82341251
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 86887149
6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
CID 176658466
1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110359639
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
3-[2-(5-bromo-1-methylsulfonyl-2,3-dihydroindol-7-yl)-2-methylpropyl]-7-tert-butyl-5-fluoro-1-methylsulfonyl-2,3-dihydroindole
CID 170383779
6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine?
The IUPAC name of 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine (CID 82490254) is 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine.
What is the SMILES notation for 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine?
The canonical SMILES for 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine is CS(=O)(=O)N1CCCc2cc(Br)cc(N)c21.
What is the InChIKey of 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine?
The InChIKey is YPYSKUHSIROEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-16(14,15)13-4-2-3-7-5-8(11)6-9(12)10(7)13/h5-6H,2-4,12H2,1H3.
What are the key properties of 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine?
6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine has a molecular weight of 305.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylsulfonyl-3,4-dihydro-2H-quinolin-8-amine is sourced from PubChem (CID 82490254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).