6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline

C15H16BrNOS — CID 167952288

IUPAC6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline
SMILESCC1(CSCc2cc(Br)cc3cccnc23)COC1
InChIInChI=1S/C15H16BrNOS/c1-15(8-18-9-15)10-19-7-12-6-13(16)5-11-3-2-4-17-14(11)12/h2-6H,7-10H2,1H3
InChIKeyZTADSGKVHHJUEF-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.27
Rot. Bonds4

About 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline

6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline (PubChem CID 167952288) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline.

Molecular Properties

Compound Name6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline
PubChem CID167952288
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline
SMILESCC1(CSCc2cc(Br)cc3cccnc23)COC1
InChIInChI=1S/C15H16BrNOS/c1-15(8-18-9-15)10-19-7-12-6-13(16)5-11-3-2-4-17-14(11)12/h2-6H,7-10H2,1H3
InChIKeyZTADSGKVHHJUEF-UHFFFAOYSA-N
XLogP4.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromoquinolin-8-yl)acetonitrile
CID 54593004
N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine
CID 78957176
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081
1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine
CID 71880673
8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
CID 66289908
6-bromo-8-(triazol-1-ylmethyl)quinoline
CID 91661151
1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119919750
8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline
CID 112819128
(2R)-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propane-1,2-diol
CID 97079677
2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
CID 112819129
8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 148551117
3-bromo-1,10-phenanthroline;ruthenium
CID 59061228

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline?
The IUPAC name of 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline (CID 167952288) is 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline.
What is the SMILES notation for 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline?
The canonical SMILES for 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline is CC1(CSCc2cc(Br)cc3cccnc23)COC1.
What is the InChIKey of 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline?
The InChIKey is ZTADSGKVHHJUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-15(8-18-9-15)10-19-7-12-6-13(16)5-11-3-2-4-17-14(11)12/h2-6H,7-10H2,1H3.
What are the key properties of 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline?
6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline has a molecular weight of 338.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline is sourced from PubChem (CID 167952288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).