3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine

C17H15BrN2S — CID 63487095

IUPAC3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CSc1ccccc1Br
InChIInChI=1S/C17H15BrN2S/c1-19-17-13(10-12-6-2-4-8-15(12)20-17)11-21-16-9-5-3-7-14(16)18/h2-10H,11H2,1H3,(H,19,20)
InChIKeyHDUYPZQPWLRWGE-UHFFFAOYSA-N
MW359.29 g/mol
LogP5.33
Rot. Bonds4

About 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine

3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine (PubChem CID 63487095) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine
PubChem CID63487095
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CSc1ccccc1Br
InChIInChI=1S/C17H15BrN2S/c1-19-17-13(10-12-6-2-4-8-15(12)20-17)11-21-16-9-5-3-7-14(16)18/h2-10H,11H2,1H3,(H,19,20)
InChIKeyHDUYPZQPWLRWGE-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-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

N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine
CID 107756549
1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine
CID 63807648
3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine
CID 63486932
5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66305665
2-[(2-bromophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307296
3-[2-(3-bromo-5-tert-butylphenyl)ethyl]-N-methylquinolin-2-amine
CID 175410508
methyl 3-[[2-(methylamino)quinolin-3-yl]methylsulfanyl]propanoate
CID 62189130
N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine
CID 115987340
N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
CID 62184502
N-methyl-3-(piperidin-1-ylmethyl)quinolin-2-amine
CID 62182323
N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189453
N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine
CID 63684590

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine?
The IUPAC name of 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine (CID 63487095) is 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine?
The canonical SMILES for 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine is CNc1nc2ccccc2cc1CSc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine?
The InChIKey is HDUYPZQPWLRWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S/c1-19-17-13(10-12-6-2-4-8-15(12)20-17)11-21-16-9-5-3-7-14(16)18/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine?
3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine has a molecular weight of 359.29 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 63487095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).