6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline

C23H22N2 — CID 171970824

IUPAC6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
SMILESC1=C(c2ccc3ncccc3c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C23H22N2/c1-2-5-17(6-3-1)16-25-21-9-10-22(25)15-20(14-21)18-8-11-23-19(13-18)7-4-12-24-23/h1-8,11-14,21-22H,9-10,15-16H2
InChIKeyANAUBPZRNFKZRF-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.06
Rot. Bonds3

About 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline

6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline (PubChem CID 171970824) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline.

Molecular Properties

Compound Name6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
PubChem CID171970824
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
SMILESC1=C(c2ccc3ncccc3c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C23H22N2/c1-2-5-17(6-3-1)16-25-21-9-10-22(25)15-20(14-21)18-8-11-23-19(13-18)7-4-12-24-23/h1-8,11-14,21-22H,9-10,15-16H2
InChIKeyANAUBPZRNFKZRF-UHFFFAOYSA-N
XLogP5.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171970101
6-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-7-fluoroquinoline
CID 171968784
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-2-fluorobenzonitrile
CID 171971806
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 67101284
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171968586
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
CID 171971436
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-1,3-benzoxazole
CID 171970818

Frequently Asked Questions

What is the IUPAC name of 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline?
The IUPAC name of 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline (CID 171970824) is 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline.
What is the SMILES notation for 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline?
The canonical SMILES for 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline is C1=C(c2ccc3ncccc3c2)CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline?
The InChIKey is ANAUBPZRNFKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-2-5-17(6-3-1)16-25-21-9-10-22(25)15-20(14-21)18-8-11-23-19(13-18)7-4-12-24-23/h1-8,11-14,21-22H,9-10,15-16H2.
What are the key properties of 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline?
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline has a molecular weight of 326.44 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline is sourced from PubChem (CID 171970824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).