1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine

C17H15BrN2S — CID 63807648

IUPAC1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccccc1Br
InChIInChI=1S/C17H15BrN2S/c1-19-11-13-10-12-6-2-4-8-15(12)20-17(13)21-16-9-5-3-7-14(16)18/h2-10,19H,11H2,1H3
InChIKeyLQPJINOEZBRDQR-UHFFFAOYSA-N
MW359.29 g/mol
LogP4.87
Rot. Bonds4

About 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine

1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine (PubChem CID 63807648) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine
PubChem CID63807648
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1Sc1ccccc1Br
InChIInChI=1S/C17H15BrN2S/c1-19-11-13-10-12-6-2-4-8-15(12)20-17(13)21-16-9-5-3-7-14(16)18/h2-10,19H,11H2,1H3
InChIKeyLQPJINOEZBRDQR-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
CID 107783184
N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
CID 63805461
N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
CID 63804478
3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine
CID 63487095
[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
CID 63809114
[2-(2-chlorophenyl)sulfanylquinolin-3-yl]methanol
CID 63814729
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 62128738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine (CID 63807648) is 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine is CNCc1cc2ccccc2nc1Sc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine?
The InChIKey is LQPJINOEZBRDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S/c1-19-11-13-10-12-6-2-4-8-15(12)20-17(13)21-16-9-5-3-7-14(16)18/h2-10,19H,11H2,1H3.
What are the key properties of 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine?
1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine has a molecular weight of 359.29 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)sulfanylquinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63807648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).