3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine

C16H13BrN2S — CID 62804814

IUPAC3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1CSc1cccc(Br)c1
InChIInChI=1S/C16H13BrN2S/c17-13-5-3-6-14(9-13)20-10-12-8-11-4-1-2-7-15(11)19-16(12)18/h1-9H,10H2,(H2,18,19)
InChIKeyJCAQQQUTUCYREP-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.87
Rot. Bonds3

About 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine

3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine (PubChem CID 62804814) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine
PubChem CID62804814
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1CSc1cccc(Br)c1
InChIInChI=1S/C16H13BrN2S/c17-13-5-3-6-14(9-13)20-10-12-8-11-4-1-2-7-15(11)19-16(12)18/h1-9H,10H2,(H2,18,19)
InChIKeyJCAQQQUTUCYREP-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis[(3-bromophenyl)sulfanylmethyl]benzo[g]quinoxaline
CID 10121028
2-bromo-3-[(3-bromophenyl)sulfanylmethyl]aniline
CID 114048830
4-[(2-chloroquinolin-3-yl)methylsulfanyl]-2-methylaniline
CID 79129044
3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine
CID 103289804
4-[(3-bromophenyl)sulfanylmethyl]aniline
CID 62805320
5-bromo-2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloropyrimidine
CID 66316000
5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine
CID 43302005
3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol
CID 66136862
2-chloro-3-[(4-chlorophenyl)sulfanylmethyl]quinoline
CID 60652062
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689
3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
CID 112664241
2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloro-5-fluoropyrimidine
CID 80550465

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine?
The IUPAC name of 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine (CID 62804814) is 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine.
What is the SMILES notation for 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine?
The canonical SMILES for 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine is Nc1nc2ccccc2cc1CSc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine?
The InChIKey is JCAQQQUTUCYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c17-13-5-3-6-14(9-13)20-10-12-8-11-4-1-2-7-15(11)19-16(12)18/h1-9H,10H2,(H2,18,19).
What are the key properties of 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine?
3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine has a molecular weight of 345.27 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine is sourced from PubChem (CID 62804814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).