5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline

C19H13BrN2S — CID 142484870

IUPAC5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline
SMILESCSc1c(-c2cnc3cccc(Br)c3c2)ccc2ncccc12
InChIInChI=1S/C19H13BrN2S/c1-23-19-13(7-8-18-14(19)4-3-9-21-18)12-10-15-16(20)5-2-6-17(15)22-11-12/h2-11H,1H3
InChIKeyWLKVRIWYMHRXEK-UHFFFAOYSA-N
MW381.30 g/mol
LogP5.93
Rot. Bonds2

About 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline

5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline (PubChem CID 142484870) has the molecular formula C19H13BrN2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline.

Molecular Properties

Compound Name5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline
PubChem CID142484870
Molecular FormulaC19H13BrN2S
Molecular Weight381.30 g/mol
Exact Mass380.00
IUPAC Name5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline
SMILESCSc1c(-c2cnc3cccc(Br)c3c2)ccc2ncccc12
InChIInChI=1S/C19H13BrN2S/c1-23-19-13(7-8-18-14(19)4-3-9-21-18)12-10-15-16(20)5-2-6-17(15)22-11-12/h2-11H,1H3
InChIKeyWLKVRIWYMHRXEK-UHFFFAOYSA-N
XLogP5.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromoquinoline;ethane
CID 142484600
4-methylsulfanyl-3-[(4-methylsulfanylquinolin-3-yl)disulfanyl]quinoline
CID 101180966
5-bromo-3-methoxyquinoline
CID 58227851
3-quinolin-3-yl-2-quinolin-5-ylquinoline
CID 173132406
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
5-(3,5-difluorophenyl)quinoline
CID 166308460
5-(3-methyl-5-pyrazin-2-ylphenyl)quinoline
CID 144553787
4-bromo-6-methylsulfonylquinoline
CID 131700001
5-bromoquinoline;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane;5-triphenylen-2-ylquinoline;iodide
CID 158456131
6-(2-bromophenyl)sulfanylquinolin-5-amine
CID 43809931
6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline?
The IUPAC name of 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline (CID 142484870) is 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline.
What is the SMILES notation for 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline?
The canonical SMILES for 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline is CSc1c(-c2cnc3cccc(Br)c3c2)ccc2ncccc12.
What is the InChIKey of 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline?
The InChIKey is WLKVRIWYMHRXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2S/c1-23-19-13(7-8-18-14(19)4-3-9-21-18)12-10-15-16(20)5-2-6-17(15)22-11-12/h2-11H,1H3.
What are the key properties of 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline?
5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline has a molecular weight of 381.30 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline is sourced from PubChem (CID 142484870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).