3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline

C23H22N2 — CID 42602881

IUPAC3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline
SMILESC1=C(c2cnc3ccccc3c2)CC2CC1N(Cc1ccccc1)C2
InChIInChI=1S/C23H22N2/c1-2-6-17(7-3-1)15-25-16-18-10-20(13-22(25)11-18)21-12-19-8-4-5-9-23(19)24-14-21/h1-9,12-14,18,22H,10-11,15-16H2
InChIKeyMRDJPLTWNMBIIG-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.91
Rot. Bonds3

About 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline

3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline (PubChem CID 42602881) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline.

Molecular Properties

Compound Name3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline
PubChem CID42602881
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline
SMILESC1=C(c2cnc3ccccc3c2)CC2CC1N(Cc1ccccc1)C2
InChIInChI=1S/C23H22N2/c1-2-6-17(7-3-1)15-25-16-18-10-20(13-22(25)11-18)21-12-19-8-4-5-9-23(19)24-14-21/h1-9,12-14,18,22H,10-11,15-16H2
InChIKeyMRDJPLTWNMBIIG-UHFFFAOYSA-N
XLogP4.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline?
The IUPAC name of 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline (CID 42602881) is 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline.
What is the SMILES notation for 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline?
The canonical SMILES for 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline is C1=C(c2cnc3ccccc3c2)CC2CC1N(Cc1ccccc1)C2.
What is the InChIKey of 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline?
The InChIKey is MRDJPLTWNMBIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-2-6-17(7-3-1)15-25-16-18-10-20(13-22(25)11-18)21-12-19-8-4-5-9-23(19)24-14-21/h1-9,12-14,18,22H,10-11,15-16H2.
What are the key properties of 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline?
3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline has a molecular weight of 326.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quinoline is sourced from PubChem (CID 42602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).