4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C15H20BrN — CID 15599085

IUPAC4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESBrc1ccccc1C1CCCC2CCCCN21
InChIInChI=1S/C15H20BrN/c16-14-9-2-1-8-13(14)15-10-5-7-12-6-3-4-11-17(12)15/h1-2,8-9,12,15H,3-7,10-11H2
InChIKeyQWCNZYVREXQZKI-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.53
Rot. Bonds1

About 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 15599085) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID15599085
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESBrc1ccccc1C1CCCC2CCCCN21
InChIInChI=1S/C15H20BrN/c16-14-9-2-1-8-13(14)15-10-5-7-12-6-3-4-11-17(12)15/h1-2,8-9,12,15H,3-7,10-11H2
InChIKeyQWCNZYVREXQZKI-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 15599085) is 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is Brc1ccccc1C1CCCC2CCCCN21.
What is the InChIKey of 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is QWCNZYVREXQZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-14-9-2-1-8-13(14)15-10-5-7-12-6-3-4-11-17(12)15/h1-2,8-9,12,15H,3-7,10-11H2.
What are the key properties of 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 294.24 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 15599085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).