[2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine

C16H13BrN2S — CID 63885103

IUPAC[2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine
SMILESNCc1cc(Sc2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H13BrN2S/c17-12-4-3-5-13(9-12)20-16-8-11(10-18)14-6-1-2-7-15(14)19-16/h1-9H,10,18H2
InChIKeyDHGAGEJEPBJLDG-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.61
Rot. Bonds3

About [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine

[2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine (PubChem CID 63885103) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine
PubChem CID63885103
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name[2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine
SMILESNCc1cc(Sc2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H13BrN2S/c17-12-4-3-5-13(9-12)20-16-8-11(10-18)14-6-1-2-7-15(14)19-16/h1-9H,10,18H2
InChIKeyDHGAGEJEPBJLDG-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichlorophenyl)sulfanylquinolin-4-yl]methanamine
CID 63885874
(2-benzylsulfanylquinolin-4-yl)methanamine
CID 63885681
[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine
CID 63883544
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 63883545
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 106923721
[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine
CID 63885680
6-(3-bromophenyl)sulfanylpyridin-2-amine
CID 80652450
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
CID 63819028
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
CID 163695952

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine?
The IUPAC name of [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine (CID 63885103) is [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine?
The canonical SMILES for [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine is NCc1cc(Sc2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine?
The InChIKey is DHGAGEJEPBJLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c17-12-4-3-5-13(9-12)20-16-8-11(10-18)14-6-1-2-7-15(14)19-16/h1-9H,10,18H2.
What are the key properties of [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine?
[2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine has a molecular weight of 345.27 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanylquinolin-4-yl]methanamine is sourced from PubChem (CID 63885103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).