6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline

C15H16BrN3 — CID 167936998

IUPAC6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline
SMILESBrc1ccc2nccc(N3C4CCC3CNC4)c2c1
InChIInChI=1S/C15H16BrN3/c16-10-1-4-14-13(7-10)15(5-6-18-14)19-11-2-3-12(19)9-17-8-11/h1,4-7,11-12,17H,2-3,8-9H2
InChIKeyIZSZILVEABKCOL-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.94
Rot. Bonds1

About 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline

6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline (PubChem CID 167936998) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline.

Molecular Properties

Compound Name6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline
PubChem CID167936998
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline
SMILESBrc1ccc2nccc(N3C4CCC3CNC4)c2c1
InChIInChI=1S/C15H16BrN3/c16-10-1-4-14-13(7-10)15(5-6-18-14)19-11-2-3-12(19)9-17-8-11/h1,4-7,11-12,17H,2-3,8-9H2
InChIKeyIZSZILVEABKCOL-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-pyrazol-1-ylquinoline
CID 162750706
1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 22031560
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
CID 67476126
6-bromo-4-(1,2,4-triazol-1-yl)quinoline
CID 121406014
4-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)quinoline
CID 80668327
3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
CID 117263956
[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133378664
8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 122507854
6-bromo-4-[4-(3-tritylphenyl)piperazin-1-yl]quinoline
CID 139997623
4-[[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322304
[1-(6-bromoquinolin-4-yl)piperidin-4-yl]-(4-methylsulfanylphenyl)methanone
CID 22031317
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline?
The IUPAC name of 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline (CID 167936998) is 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline.
What is the SMILES notation for 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline?
The canonical SMILES for 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline is Brc1ccc2nccc(N3C4CCC3CNC4)c2c1.
What is the InChIKey of 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline?
The InChIKey is IZSZILVEABKCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c16-10-1-4-14-13(7-10)15(5-6-18-14)19-11-2-3-12(19)9-17-8-11/h1,4-7,11-12,17H,2-3,8-9H2.
What are the key properties of 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline?
6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline has a molecular weight of 318.22 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline is sourced from PubChem (CID 167936998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).